OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 5.9063 24.9584 25.9808 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7041 24.1561 26.7625 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3137 24.9723 28.0348 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6843 25.1844 28.7746 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7356 26.0149 27.8889 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1258 25.0806 26.8068 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5113 23.9905 25.9254 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1108 22.8071 25.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7384 21.8496 25.5073 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8037 22.8588 24.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3693 24.2052 28.8011 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9504 26.3491 28.7097 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2497 25.1328 29.5559 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5738 25.9109 30.0347 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5765 26.6958 30.7444 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8370 27.7677 29.9491 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0139 28.6064 30.8744 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2228 27.7337 31.8944 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0305 26.5789 32.5223 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6985 25.8368 31.4989 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9524 28.5919 29.2913 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7764 29.2876 28.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8923 29.0778 27.4442 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7995 30.3429 27.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7768 28.5816 33.0056 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0576 29.3423 30.0865 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1195 25.5825 33.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7513 25.6243 32.7198 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2641 24.2063 24.7618 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6273 24.3604 21.3671 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9008 25.5399 22.3343 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2417 25.2652 23.6700 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7494 24.8542 23.4150 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4797 23.8858 22.2544 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1783 24.4097 21.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3585 25.7246 22.4745 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9478 26.9262 22.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3285 27.8881 22.7405 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4231 26.8477 22.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2163 26.4191 24.5232 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2627 24.7279 20.1476 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0185 23.7807 21.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1265 24.6034 22.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-8.38766 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 3.3700 27.1632 29.0367 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9596 27.2558 29.4428 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8025 26.6615 28.2707 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1649 25.2439 28.0367 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6181 25.3309 27.6134 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9221 25.7676 28.8467 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3924 28.6367 29.6805 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8142 29.1060 30.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7837 28.4577 31.8311 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 30.5118 30.8576 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1800 26.6026 28.6789 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1136 23.9696 27.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1039 23.9292 25.7107 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8147 24.4653 26.9881 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5150 24.7111 25.7377 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9539 24.2139 25.6346 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5792 24.7319 24.3785 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6295 24.5738 23.1535 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1598 24.9605 23.4191 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6964 24.3281 24.6146 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6452 24.7862 26.8799 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8950 24.4454 27.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4099 23.4994 26.8394 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5403 25.3965 28.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0987 25.4428 22.0684 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7703 23.9638 24.1171 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2449 24.4634 22.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9508 23.6359 21.3341 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 27.7470 30.1292 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3277 27.3592 33.5889 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7210 26.6910 33.7060 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5918 27.1244 32.5450 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7874 26.9192 31.2141 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3111 27.3413 31.2173 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3210 26.7429 32.4088 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3248 27.0520 35.0037 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3569 26.2226 36.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8693 25.1874 36.0372 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0713 26.7900 37.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7918 26.3454 32.4312 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 26.8703 34.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4559 26.8404 30.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1411 25.6027 29.4072 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-8.23042 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 3.5697 27.3380 28.5243 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2157 25.7502 28.2918 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5273 25.0081 27.8839 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0657 25.8470 26.6684 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3954 27.3662 27.0715 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0675 27.9858 27.2927 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6744 25.1193 29.4999 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3229 25.0740 30.6907 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3972 25.4664 30.8119 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5282 24.4845 31.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1988 23.6523 27.5351 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0787 28.0658 25.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2398 27.8072 24.6986 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2935 25.3223 26.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7582 24.8619 24.7824 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6973 24.4227 23.7774 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3545 23.7899 22.5922 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5746 24.6223 22.0962 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4975 25.1486 23.2150 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7193 25.7845 24.2318 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 23.4094 24.5474 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5899 23.0722 24.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9775 23.7238 23.4485 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0942 21.7958 24.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4085 23.7808 21.2306 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 23.7321 21.5201 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4486 26.2177 22.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6374 25.6475 22.0671 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3394 28.0428 28.9356 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 30.1624 32.1470 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6359 29.3016 32.5345 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3198 28.3334 31.4135 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2621 29.1328 30.0650 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3510 30.1898 29.8319 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4163 31.0363 31.0387 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9171 28.5959 33.8000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9643 28.2691 34.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8702 28.5674 34.5495 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4853 27.5094 35.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0442 27.6958 31.5751 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0588 31.0452 33.2466 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 31.1070 28.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2261 30.4557 27.5975 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-8.13124 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 6.9109 25.0463 26.5001 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3931 24.4184 26.5505 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4358 25.4928 27.1559 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1326 25.8915 28.5073 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5928 26.5205 28.2806 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4251 25.3739 27.8465 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9017 24.0465 25.2198 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0804 22.9940 24.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7732 22.2609 25.8098 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6165 22.8794 23.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1385 24.9006 27.3407 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1317 27.0535 29.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6425 26.1233 30.6658 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3966 26.8809 29.2866 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 26.9087 30.2176 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2154 28.0788 31.1948 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1367 27.8375 32.2023 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8240 27.3320 31.5323 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0246 26.2561 30.4448 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0374 26.6730 29.5259 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6012 28.1014 31.8547 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3441 29.2191 31.9637 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1352 30.1508 31.3197 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4248 29.1443 32.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0367 26.7315 32.5577 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8453 29.0864 32.8598 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 26.0665 29.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1933 27.1532 29.7955 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8186 24.0457 25.9048 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9008 26.5894 24.8267 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2605 25.8824 23.6053 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9661 25.2168 24.0243 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2387 24.3605 25.3101 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1202 24.9925 26.3969 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3368 25.5082 25.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0412 26.8716 22.5319 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8511 27.0034 21.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7923 26.3614 21.3379 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3896 28.0289 20.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4558 24.3200 23.0267 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1105 27.1547 24.3337 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5746 24.0066 27.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4892 23.6316 28.4164 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-8.05080 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 4.9441 26.6243 29.5202 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7333 26.1466 28.5172 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2183 24.8939 27.7217 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5809 25.3595 27.0911 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6664 25.7581 28.2056 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1579 27.0264 28.7790 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 25.7952 29.2492 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4867 26.6542 29.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5441 27.7616 29.1705 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 26.0415 30.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2237 24.5605 26.7382 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9997 26.0124 27.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7705 27.0554 26.4888 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2266 24.3504 26.2588 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5705 24.1651 24.8582 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4171 24.0512 23.8657 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9430 23.6577 22.5220 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2044 24.4845 22.1314 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2354 24.6675 23.2644 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5797 25.1120 24.4546 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5143 22.9581 24.4543 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2025 22.8566 24.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6115 23.7351 23.7146 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6066 21.5247 24.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9050 23.8017 21.0379 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 23.9215 21.5418 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2499 25.7507 22.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3363 25.2516 22.0851 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4843 27.7935 30.2955 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4573 31.8801 30.9522 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3846 31.5208 29.4464 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0923 30.0429 29.2901 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0934 29.2383 30.1907 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3600 29.7851 31.6004 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6779 31.2200 31.4693 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3506 32.3515 28.7986 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4122 32.7585 27.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3134 32.5021 26.8485 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2237 33.5358 27.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2781 29.5805 27.9442 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7577 33.2711 30.9857 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 29.1363 32.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3085 28.2097 31.3762 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-7.95888 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 3.3566 27.3127 28.6574 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9570 25.7251 28.5143 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2219 24.9395 28.0453 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6883 25.7188 26.7622 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0746 27.2449 27.0799 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7777 27.9013 27.3688 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4911 25.1534 29.7819 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2379 25.1011 30.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3377 25.4374 30.9306 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5143 24.5824 32.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8439 23.5786 27.7753 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6880 27.8847 25.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6654 28.8583 25.3251 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8611 25.1452 26.1115 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1922 24.6959 26.4866 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2954 24.8342 25.4416 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5314 24.1382 25.9157 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8468 24.4727 27.4044 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6243 24.4547 28.3454 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5594 25.2214 27.7777 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7203 24.1595 24.1884 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3113 24.8484 23.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0854 25.9766 23.1557 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1997 24.0350 21.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7902 23.4790 27.9292 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6406 24.5925 25.1156 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9414 25.1143 29.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1258 24.5442 30.3159 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1722 28.0595 29.1256 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0024 30.3522 32.0456 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8546 29.4777 32.6109 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4376 28.4548 31.5747 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1962 29.1942 30.2124 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2172 30.2678 29.8093 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3993 31.1663 30.9655 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3052 28.8339 33.8604 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5615 28.7857 34.9931 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5348 29.2897 35.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2062 28.0317 36.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 27.7923 31.9127 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2983 31.2857 33.0786 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 31.1268 28.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9001 30.4520 27.3206 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-7.89075 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 3.4462 27.0406 31.0743 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7685 26.5502 29.6599 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7172 25.5026 28.9967 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1070 26.2357 28.9531 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6447 26.6154 30.4180 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7492 27.7070 30.8682 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4528 25.9338 29.8590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2742 26.5600 29.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2278 27.6667 29.3054 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9332 25.6968 29.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2057 25.1804 27.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0513 27.1398 30.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9687 25.9568 30.5401 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1725 25.4541 28.3353 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6146 25.1007 26.9959 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0205 24.5249 26.8545 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3805 24.4189 25.4067 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2195 23.8074 24.5667 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8172 24.3549 24.9049 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6078 24.3223 26.3188 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9206 25.5336 27.5815 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1660 25.2379 27.9995 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5254 24.1494 28.1111 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0211 26.4254 28.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4492 24.1003 23.1474 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5205 23.5453 25.2876 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7213 23.4842 24.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5066 23.4818 25.1148 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5428 28.0127 31.7212 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0653 26.9494 35.6872 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8093 26.2948 35.0580 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8435 26.4714 33.5542 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1235 27.9816 33.2353 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1958 28.6868 34.0781 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9016 28.4089 35.4971 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7634 24.8691 35.4376 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7308 24.3014 36.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1632 24.9267 36.4561 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 22.8390 36.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5957 26.1376 32.9285 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 26.7499 37.0893 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1908 30.1874 33.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2352 30.6667 32.8593 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-7.74938 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 6.4113 26.5301 27.3324 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3018 26.4513 28.7113 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3348 26.5817 29.9299 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5299 27.8973 29.6258 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6869 27.7974 28.2625 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7116 27.8244 27.1923 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0361 25.1870 28.8265 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3521 25.0416 28.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9726 25.9013 28.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9120 23.6916 28.8366 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1191 26.6629 31.1324 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7959 29.0001 28.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4179 28.5755 28.5722 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5637 28.2554 30.6584 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7289 27.5779 31.6373 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9246 27.9566 33.1025 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1456 27.0239 33.9744 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7023 26.7979 33.4328 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6093 26.5789 31.9085 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3483 27.5929 31.2231 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4347 27.8093 33.3359 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0892 28.4427 34.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6347 29.3513 34.8701 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4182 27.8580 34.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 25.5980 34.0606 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0392 27.6138 35.2849 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1744 26.7089 31.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 27.1914 32.4543 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3154 26.3815 26.1748 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9780 24.6152 22.6785 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5119 23.8523 23.9444 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7671 24.7016 25.1722 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2493 25.2132 25.1260 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7752 25.7104 23.7718 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4550 24.6811 22.7641 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 23.5107 23.8064 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 22.5070 24.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0745 21.8325 25.1979 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0204 22.3962 24.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 23.9660 26.3956 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7187 23.7277 21.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2726 25.8971 23.7448 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9413 25.5127 25.0358 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-7.70108 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 7.6895 26.5850 25.9407 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5601 26.6303 27.3337 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7821 27.4979 28.3725 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5147 28.8439 27.6058 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6219 28.6306 26.2880 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5207 27.9263 25.3434 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7709 25.2942 27.9004 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8949 24.9153 28.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8085 25.6083 28.6482 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8368 23.5454 29.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6047 27.6649 29.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2414 29.9622 25.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7777 29.8719 25.3353 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8127 29.8491 28.3961 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6291 29.9280 29.2371 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4407 30.7178 28.6966 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4060 30.8699 29.7660 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1507 29.5288 30.5167 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4240 28.7357 30.8773 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2701 28.6220 29.7305 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0351 32.0756 28.2973 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4785 32.8757 27.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7088 32.4787 26.6091 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9285 34.2947 27.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4643 29.8114 31.7823 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1695 31.2713 29.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0913 27.3075 31.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1661 26.3722 30.9701 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4060 25.7448 24.9608 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6407 24.4742 22.1551 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4381 23.7995 23.5355 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2667 24.5190 24.5793 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7325 24.6641 24.0398 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8988 25.0699 22.5684 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0384 24.1833 21.7615 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0020 23.8133 23.8763 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 22.8482 24.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 21.9306 24.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9535 23.1145 24.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3476 23.7968 25.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8459 23.7134 21.2521 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3077 24.8955 22.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3497 25.4541 22.9858 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-7.62088 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 5.6551 26.8290 27.3598 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4403 26.6675 28.7942 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3794 26.6730 29.9395 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5541 27.9843 29.6746 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8213 27.9680 28.2456 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9229 28.1093 27.2645 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2078 25.4201 28.8697 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5531 25.3435 28.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 26.2613 28.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1300 23.9867 28.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 26.6817 31.2026 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 29.1517 28.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6013 28.7601 28.7876 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5001 28.2313 30.6524 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1378 27.7802 31.9864 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4087 26.4444 32.0971 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9332 26.2424 33.5007 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0386 26.5948 34.5407 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8193 27.8915 34.2420 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2614 27.8936 32.8823 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2307 26.5710 31.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0706 25.7636 30.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9391 25.1341 29.6360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3098 25.7478 29.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 26.7774 35.8572 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5961 24.8512 33.6675 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0827 27.9867 35.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8483 28.6511 36.3655 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6493 26.7989 26.2688 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8007 24.7887 22.7515 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3944 23.9802 24.0097 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4445 24.8777 25.2286 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8267 25.6194 25.2457 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3390 26.1739 23.9088 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2415 25.0916 22.9105 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0472 23.4119 23.8073 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5318 22.4096 24.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1489 21.9158 25.3895 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1346 22.0497 24.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3486 24.1463 26.4598 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7447 23.8549 21.6787 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7868 26.5977 23.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3630 26.5937 25.3426 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-7.60530 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 6.8531 24.1851 26.8565 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6590 25.4521 27.5241 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9591 25.8275 28.8682 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4532 26.0212 28.4610 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8050 24.6811 27.8583 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4507 24.5221 26.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0642 25.1342 27.7981 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0814 26.0250 27.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9147 27.0902 27.2879 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4103 25.5083 28.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5652 27.0255 29.3831 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3256 24.8668 27.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9036 23.8884 26.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5845 26.4143 29.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1091 27.6433 30.1798 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9137 27.5350 31.1218 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4350 28.9031 31.4910 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6171 29.8461 31.8664 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8393 29.7574 30.9291 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2093 28.3899 30.7366 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8565 26.7734 30.3103 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8431 26.0938 30.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 25.7886 31.9902 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2934 25.7979 29.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1544 31.2376 31.8159 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5789 28.7860 32.6443 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0592 30.4329 31.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0971 29.4760 31.9135 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5242 23.8068 25.5971 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9596 24.1698 21.4969 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7602 25.2441 22.2758 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8076 24.8769 23.7445 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3500 24.5536 24.2254 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4765 23.7068 23.2887 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5541 24.3070 21.9430 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1141 25.3540 21.6982 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8041 26.5181 21.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3411 27.5063 21.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1700 26.3637 21.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2904 25.9485 24.5682 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9550 24.6197 20.1465 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0186 23.6963 23.6788 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6416 22.5164 24.5315 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-7.54596 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 7.2780 24.9826 26.5774 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7163 24.5268 26.3459 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7916 25.5463 27.0826 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3607 25.5721 28.5477 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8857 26.0725 28.6030 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6610 24.9603 28.0048 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3503 24.5004 24.9260 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7456 23.4508 24.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5480 22.4602 24.8654 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3626 23.6958 22.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4357 25.0728 27.0099 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3160 26.2570 30.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1940 27.7331 30.3342 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6278 26.4482 29.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9834 27.7510 29.4122 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6041 28.3858 30.7469 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7735 29.6066 30.5085 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3730 30.5016 29.3828 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8685 29.7338 28.1397 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7032 28.6439 28.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8016 27.2970 31.4727 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6692 27.2526 32.8119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3774 27.8331 33.5105 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5343 26.4156 33.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3424 31.4340 28.9123 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7494 30.3808 31.7237 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7369 30.6152 27.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5343 30.3458 25.8315 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1588 24.0381 25.8621 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1096 26.7031 24.7116 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4387 26.0028 23.5028 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1854 25.2868 23.9617 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5409 24.4117 25.2142 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4491 25.0477 26.2763 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6189 25.6167 25.5797 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1416 27.0078 22.4634 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8970 27.1872 21.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8503 26.5766 21.1801 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3617 28.2189 20.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6600 24.3962 22.9664 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2782 27.3179 24.1802 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9797 24.0541 27.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9221 23.5323 28.2139 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-7.47109 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 7.0109 26.8131 26.4567 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8447 26.8866 27.8709 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9077 27.4904 28.9639 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3987 28.8299 28.3177 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5741 28.5807 26.9623 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5980 28.1502 25.9813 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2981 25.5653 28.3174 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5974 25.1762 28.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4402 25.8443 27.9388 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8295 23.8301 28.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6735 27.6955 30.1636 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9550 29.8677 26.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5263 29.8675 26.9858 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5127 29.6062 29.1781 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5483 29.3594 30.2380 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0652 30.5666 31.0365 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2521 30.1076 32.2050 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2292 29.0049 31.7985 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7893 27.9160 30.8599 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4752 28.5229 29.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3549 31.2630 31.4925 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5495 32.5910 31.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9073 33.2426 30.6847 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6369 33.1277 32.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7646 28.3138 33.0066 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 31.2353 32.7095 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6716 27.0872 30.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3484 27.6284 30.5367 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8817 26.2190 25.4231 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7519 24.4612 22.3397 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4080 23.8503 23.7218 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9770 24.7248 24.8198 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4850 25.0125 24.4976 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8371 25.3471 23.0411 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2177 24.3173 22.1848 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9432 23.7119 23.8404 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3350 22.7413 24.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9452 21.9367 25.1057 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8521 22.8456 24.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9391 24.0923 26.1076 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1983 23.5582 21.3888 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3199 25.3129 22.7621 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1492 25.0712 23.9931 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-7.45489 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 5.1848 25.5635 26.8105 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9055 24.6325 27.2546 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9614 25.4903 28.1547 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9169 26.0431 29.2738 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0919 26.9609 28.6769 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9823 26.0084 27.9726 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1428 24.1492 26.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2336 22.8912 25.5993 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9905 22.1285 26.0095 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2763 22.5913 24.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9196 24.6422 28.6675 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8569 27.6112 29.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 26.5086 30.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2469 26.8664 30.2745 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9017 26.7844 31.6846 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1638 25.5327 32.1506 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7086 25.7107 33.5641 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8327 26.3100 34.4612 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6190 27.4741 33.8233 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0399 27.1151 32.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9719 25.4132 31.1907 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0134 26.3536 31.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1434 27.1490 31.9082 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 26.2804 29.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2331 26.8381 35.6918 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3631 24.4157 34.0937 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 27.7723 34.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9852 28.2073 33.7283 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0702 24.7675 25.9375 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0703 24.7236 23.0862 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1156 25.9921 23.9754 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2048 25.8071 25.1714 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8050 25.3161 24.6614 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7981 24.2414 23.5649 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7123 24.6887 22.4965 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5100 26.2465 24.3874 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0096 27.4833 24.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3662 28.4195 24.4861 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4236 27.4777 25.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9813 27.0281 25.8918 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9322 25.0101 21.9902 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4438 24.0469 22.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 24.7107 21.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-7.39515 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 5.4318 27.5548 28.0911 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9135 27.7588 27.4105 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0502 26.7584 26.2197 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6999 25.3670 26.8618 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2057 25.3229 27.4491 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2535 26.1963 28.6453 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1096 29.1214 26.9051 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2945 29.7814 26.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2248 29.3350 27.4437 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2823 31.1120 26.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3946 26.8265 25.7141 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8616 23.9232 27.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4974 23.6171 27.3029 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7895 24.2446 25.9344 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9314 24.0361 24.5024 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6535 24.0283 23.6685 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9642 23.5961 22.2708 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2319 24.3108 21.7142 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4131 24.3976 22.7029 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9588 24.8926 23.9649 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7423 23.0160 24.3767 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4216 22.9209 24.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8386 23.7683 23.6142 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8045 21.6370 24.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7223 23.5740 20.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 23.9531 21.4295 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4658 25.3890 22.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4351 24.7788 21.3202 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2841 28.5153 29.2025 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0092 30.0997 32.2761 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8205 28.5688 32.1268 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8886 28.0122 31.2085 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9248 28.8796 29.9019 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8281 30.4026 30.0710 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6795 30.6809 30.9545 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8697 27.9412 33.4619 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1827 26.8200 33.7926 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 26.3136 33.0423 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4407 26.3473 35.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6230 26.6608 30.8045 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9507 30.5207 33.1295 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5693 31.1321 28.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1407 30.2216 27.6579 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-7.37416 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 4.5421 27.6345 27.8271 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1373 27.8847 27.5222 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5873 26.8899 26.4064 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1348 25.4879 26.9547 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5452 25.3970 27.1648 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2767 26.2707 28.3313 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4081 29.2532 27.0697 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9936 30.2067 27.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2493 30.0230 28.9431 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2753 31.4894 27.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0112 27.0000 26.2393 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1505 23.9871 27.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6757 23.8630 27.1997 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4794 24.3694 26.0839 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7271 24.1387 24.6698 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5109 24.0646 23.7514 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9330 23.6177 22.3879 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2082 24.3703 21.9032 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3145 24.5225 22.9677 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7562 25.0239 24.1845 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5919 23.0316 24.4183 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2852 22.9090 24.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7070 23.7451 23.5759 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6774 21.6113 24.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8053 23.6304 20.7856 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8665 23.9143 21.4652 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3595 25.5448 22.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3551 24.9783 21.6358 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1018 28.5892 28.8635 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 29.4587 32.7179 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3129 28.8985 32.6693 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8071 28.8908 31.2375 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7209 28.2033 30.3385 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2555 28.5771 30.6034 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0170 28.4456 32.0536 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1803 29.7161 33.5399 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2310 29.2180 34.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4796 28.1006 34.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9879 30.2486 34.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0196 28.1405 31.0738 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4959 29.3995 34.0903 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 27.6628 29.9145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8486 26.3141 29.5826 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-7.35187 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 3.9771 28.3668 29.3082 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5836 27.0308 28.4361 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8915 26.4430 27.8188 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5334 27.6688 27.0730 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8898 28.8747 28.0720 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5730 29.4269 28.4683 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9464 25.9980 29.2595 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5377 25.4021 30.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6312 25.6159 30.6105 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6549 24.4658 31.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5387 25.3642 26.9359 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6668 29.9356 27.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9637 30.1577 26.0231 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7766 27.3567 26.3766 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8017 26.3259 26.4072 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0448 25.5453 25.1188 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9694 24.4008 25.3876 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1880 24.8353 26.2559 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8409 25.7538 27.4459 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0117 26.8319 27.0053 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6518 25.0523 24.7031 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3508 24.6786 23.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0092 24.9797 22.5494 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1238 23.8419 23.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8217 23.6401 26.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4738 23.9218 24.1254 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0887 26.4040 28.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7818 25.5320 28.9719 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7487 28.9146 29.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 28.8458 33.9002 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4818 28.2026 33.6648 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2675 27.9843 32.1814 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5971 29.3200 31.4277 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8476 30.0876 31.8798 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7844 30.2172 33.3483 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3989 26.9364 34.4188 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 26.5737 35.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4249 27.2693 35.2818 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4557 25.2272 35.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9093 27.6490 31.8611 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9603 29.0288 35.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9238 31.4873 31.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1168 31.6687 30.0648 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-7.24022 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 7.0795 26.7511 26.7179 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0763 27.2108 27.9408 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1973 27.6930 29.1375 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2494 28.7682 28.4922 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3180 28.1497 27.3393 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2506 27.8698 26.2221 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9347 26.1138 28.3995 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4770 24.8882 28.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3527 24.6496 28.8037 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5451 23.8953 29.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0600 28.2346 30.1525 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3077 29.1690 26.8908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1434 29.0766 27.8504 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3353 29.3992 29.4378 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0354 29.3308 30.8589 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4785 28.0139 31.3919 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0355 28.1889 32.8097 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0911 28.9656 33.6523 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7036 30.1950 32.9496 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1385 29.8401 31.6347 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2914 27.7012 30.4703 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8053 26.4577 30.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4160 25.5231 30.5789 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4268 26.4074 29.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4551 29.4611 34.8782 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8746 26.8828 33.3969 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9475 30.6882 33.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1115 30.0631 34.9858 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9024 26.2691 25.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8275 24.5298 22.4601 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4634 23.9069 23.8317 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0121 24.7743 24.9455 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5242 25.0689 24.6497 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8985 25.4161 23.2017 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2959 24.3914 22.3275 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9974 23.7632 23.9257 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3806 22.7691 24.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9846 21.9479 25.1327 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8976 22.8714 24.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9556 24.1315 26.2275 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2919 23.6327 21.4934 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3857 25.3884 22.9462 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1949 25.1177 24.1846 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-7.23915 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 6.7915 26.7016 26.3120 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5717 26.8997 27.7446 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5915 27.5842 28.7486 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0994 28.8609 27.9747 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3270 28.4927 26.6156 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3890 27.9910 25.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0156 25.6241 28.3161 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3160 25.2841 28.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1761 25.9567 28.1392 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5245 23.9850 29.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3111 27.8950 29.9541 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7187 29.7307 26.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8364 29.5896 24.5166 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1778 29.6984 28.7344 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2111 30.5407 29.9192 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0079 31.4461 30.1655 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3017 32.3819 31.2946 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9585 31.6440 32.4995 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0604 30.6338 32.1179 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5939 29.7719 31.0769 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8251 32.2053 28.8439 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6787 32.1843 28.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 31.3764 28.3095 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5423 33.2910 27.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5883 32.6332 33.3814 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0563 32.9479 31.7478 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4056 29.7204 33.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3565 30.3329 34.2095 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7033 26.0312 25.3641 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4770 24.4429 22.2570 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1989 23.7361 23.6078 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7986 24.5463 24.7383 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2877 24.8815 24.3766 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5752 25.3177 22.9329 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9373 24.3358 22.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7424 23.5639 23.7747 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1819 22.6108 24.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8291 21.8477 25.1161 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6977 22.6759 24.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8227 23.8296 25.9816 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8991 23.5948 21.2707 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0458 25.3285 22.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8973 24.6432 23.6268 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-7.15722 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 3.5704 27.6011 29.3442 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2307 25.9992 29.2068 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3825 25.3191 28.4016 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4816 26.1844 27.0930 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8541 27.7163 27.3991 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6343 28.2737 28.0297 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1176 25.3416 30.5127 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9447 25.1392 31.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9486 25.5504 30.7618 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 24.3449 32.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0210 23.9503 28.1495 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1195 28.4490 26.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1940 29.6440 26.0961 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4889 25.7179 26.1466 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8266 25.1494 26.1866 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8059 25.5931 25.1038 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0467 24.7609 25.1722 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5531 24.5992 26.6368 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4503 24.3047 27.6747 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3722 25.2307 27.5183 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 25.3619 23.7880 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4392 24.2003 23.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6885 23.2227 24.0424 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4204 24.3015 22.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4926 23.4738 26.6974 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0789 25.4263 24.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9591 24.4999 29.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8389 23.4171 29.5265 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4986 28.2478 30.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6170 29.6346 33.4014 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2332 29.0565 33.7917 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6485 28.3003 32.6168 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7315 29.2139 31.3443 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0329 30.0004 31.1321 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3485 30.6900 32.3978 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3863 28.1885 34.9757 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 28.0231 35.9175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4346 28.5949 35.8579 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7916 27.0531 36.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2643 27.9703 32.8036 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0617 30.3390 34.5555 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9199 31.0668 30.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6305 31.0010 29.2989 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-7.09242 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 7.7305 26.5361 25.6856 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6727 26.7829 27.0092 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9389 27.7840 27.9561 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6134 29.0066 27.0231 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6552 28.6039 25.7987 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5124 27.7785 24.9154 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9309 25.5415 27.7461 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1362 24.9205 27.7922 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0345 25.2925 27.1776 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1907 23.7363 28.6999 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8196 28.1191 29.0422 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2265 29.8371 25.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 30.0460 25.3658 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9405 30.1092 27.7008 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9163 30.2876 28.7174 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2952 31.0955 29.9552 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2055 30.9992 30.9751 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7984 31.1995 30.3367 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5808 30.4563 29.0023 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6752 30.7095 28.1178 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5894 30.4400 30.4569 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4817 31.0797 31.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4905 32.2275 31.3311 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4226 30.1813 31.9623 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7765 30.6989 31.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4032 32.0447 31.9472 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 30.9637 28.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6601 31.6062 27.0084 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4055 25.5701 24.7964 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5229 24.4226 22.0565 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3364 23.7395 23.4351 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2170 24.4197 24.4626 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6713 24.5225 23.8837 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8101 24.9391 22.4124 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8988 24.0903 21.6209 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9115 23.7967 23.8162 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2925 22.8473 24.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8516 21.9099 24.9064 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8704 23.1574 24.8628 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3082 23.6814 25.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6786 23.6985 21.1684 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1978 24.7241 21.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2021 24.0526 20.5136 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-7.07909 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 4.8138 26.1176 30.6138 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9502 27.5382 31.4284 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3688 27.3405 32.8638 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9335 26.7539 32.6052 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9776 25.3477 31.8306 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4057 25.6972 30.4556 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3436 27.9815 31.5421 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8789 29.0011 30.8249 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2829 29.5447 30.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2831 29.3498 31.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3484 28.6141 33.5309 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6009 24.7454 31.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4331 23.9346 33.0419 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1639 26.5080 33.8198 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1458 27.1836 34.6080 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8199 26.5958 35.9778 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3798 27.2815 36.5501 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2929 28.8285 36.3867 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1989 29.3073 35.0049 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3887 28.6042 34.6391 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5359 25.1133 35.6988 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9806 24.1192 36.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8368 24.2812 37.2439 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2635 22.8249 36.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6284 29.4060 36.5759 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4381 26.9880 37.9598 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5819 30.7810 35.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2964 31.1922 33.8267 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3851 26.2885 29.2633 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7180 24.6508 25.7032 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4513 23.9412 26.2450 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8459 24.7652 27.3624 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9789 25.1290 28.3845 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3304 25.5681 27.8029 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7235 24.5721 26.7876 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4962 23.7408 25.1376 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6642 22.6742 25.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6904 21.8346 25.8229 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7543 22.7260 23.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8381 24.0516 28.0938 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2168 23.7897 24.6856 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4373 25.6072 28.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9327 25.6509 30.2439 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-7.06170 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 6.3554 26.4083 28.6442 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2173 27.0718 29.8760 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2563 27.2917 31.0866 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0657 28.1129 30.4709 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3072 27.3101 29.3049 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2705 27.2975 28.1788 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3251 26.2118 30.3049 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5296 26.6744 30.7239 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7936 27.7934 30.6941 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4610 25.6194 31.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9661 28.0063 32.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0716 28.0570 28.8846 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8965 27.3313 29.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0316 28.4742 31.4342 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3098 27.8468 32.5295 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3347 28.7202 33.3135 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8473 27.9790 34.5176 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4468 26.5139 34.1703 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4328 25.7758 33.2411 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7402 26.5915 32.1079 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1609 29.9511 33.7118 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6054 31.1325 34.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5175 31.3891 33.7642 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5050 32.0472 34.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3764 25.7301 35.4087 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6749 28.6514 35.0178 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8177 24.5016 32.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2508 23.6498 33.7192 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 26.1729 27.5035 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5639 24.1987 23.9333 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6338 23.7107 25.0728 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7239 24.6645 26.2459 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2379 24.9000 26.5824 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1932 25.1063 25.3982 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9467 24.0188 24.4318 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2531 23.6062 24.5612 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3643 22.6712 24.9786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 21.8711 25.7415 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0193 22.8063 24.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1093 24.1423 27.4332 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4235 23.2285 22.9012 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6498 25.0251 25.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2193 23.6387 25.6621 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-7.05714 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 6.4467 26.6279 28.1466 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2206 27.1135 29.5125 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1454 27.4839 30.5821 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2173 28.5098 29.8356 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5106 27.8681 28.5441 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6114 27.7003 27.5663 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0886 26.0664 30.0609 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4429 26.0825 29.9834 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0077 26.8969 29.3998 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1205 24.9712 30.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8099 28.0491 31.7252 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4973 28.8263 27.9817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2089 28.5860 28.7349 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1314 29.0354 30.6557 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6538 28.9108 32.0234 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1076 27.5515 32.4505 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4750 27.6623 33.8013 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3667 28.4697 34.7915 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9949 29.7495 34.2016 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6162 29.4557 32.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0699 27.2024 31.3746 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9257 25.9629 30.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7473 25.1635 30.9803 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6246 25.7237 30.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5498 28.8957 35.9335 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3132 26.3333 34.3345 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1039 30.2873 35.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5849 30.9459 36.2911 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4567 26.2509 27.1379 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6234 24.1677 23.6595 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7492 23.7043 24.8524 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8805 24.6925 25.9927 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4051 24.9517 26.2554 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3056 25.1325 25.0249 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0285 24.0152 24.1017 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3487 23.5723 24.4052 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4654 22.6966 24.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7831 21.9701 25.7711 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0993 22.7920 24.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3239 24.1992 27.2203 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4483 23.1668 22.6628 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7784 25.0760 25.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1695 23.8435 26.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-7.04134 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 3.9012 26.7221 30.8065 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1429 26.4220 29.3799 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9899 25.3814 28.5817 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4275 26.0166 28.5530 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0397 26.2116 30.0249 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2419 27.3132 30.6133 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7929 25.8822 29.5714 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6654 26.6367 29.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7028 27.7844 29.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 25.8562 29.6721 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4132 25.2258 27.2736 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4772 26.6428 29.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3163 25.4106 30.1825 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4118 25.2274 27.8208 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8856 25.0921 26.4528 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2328 24.4062 26.2457 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6552 24.5419 24.8173 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4843 24.2316 23.8374 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1278 24.8516 24.2319 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8430 24.5711 25.6046 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1897 25.1539 27.1846 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3683 24.6439 27.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6015 23.5190 27.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3270 25.6528 28.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8154 24.7649 22.5112 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7074 23.5900 24.5652 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9833 24.2353 23.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5156 22.9805 24.0197 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0933 27.6864 31.5793 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1478 29.5709 33.6413 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3415 28.5957 34.5362 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4551 27.7256 33.6694 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6575 28.6503 32.6848 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4331 29.7955 32.0183 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1589 30.5194 33.0797 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2789 27.7872 35.3402 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4940 27.9794 36.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9727 28.8270 37.2316 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4387 27.0014 37.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4847 26.9914 34.4304 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9207 30.3501 34.5476 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5409 30.8024 31.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6937 30.2016 30.2469 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-7.03962 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 4.1071 28.5799 29.0029 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7386 27.1748 28.2346 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0556 26.5726 27.6513 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6643 27.7543 26.8122 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9995 29.0381 27.7170 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6730 29.5884 28.0826 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1308 26.1914 29.1369 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8182 25.4907 30.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9619 25.5658 30.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9705 24.6339 30.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7218 25.4242 26.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7471 30.0596 26.9053 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0339 30.1639 25.5766 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9097 27.4197 26.1303 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3508 26.5454 25.0555 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3776 25.4725 25.4059 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8678 24.8139 24.1556 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6955 24.4601 23.1922 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6307 25.5652 23.0343 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2203 26.0357 24.3205 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5044 26.2392 26.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1532 25.7614 27.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7202 24.9059 27.8289 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4632 26.4166 27.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2364 24.2091 21.8516 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5266 23.5853 24.5209 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3696 25.0308 22.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6161 23.8077 21.6106 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8706 29.1433 29.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9127 29.0301 33.5842 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5594 28.3291 33.3035 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3865 28.1371 31.8111 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6687 29.5045 31.0960 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8722 30.3181 31.5932 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7724 30.4090 33.0626 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5202 27.0425 34.0258 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 26.4990 34.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3839 27.0460 34.4602 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 25.1693 35.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0524 27.7471 31.4533 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 29.1829 34.9985 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8943 31.7330 31.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3908 31.8325 29.6525 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-7.03867 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 6.9841 24.4139 26.9340 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9340 25.6604 27.4282 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3802 26.1926 28.7873 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8633 26.4736 28.4855 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0702 25.1469 28.0495 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5877 24.8356 26.6962 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3305 25.2538 27.6160 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3951 26.0679 27.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2726 27.1295 26.9806 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7142 25.4734 27.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1136 27.3747 29.1513 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5971 25.4342 27.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0520 24.5529 26.8562 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1226 27.0184 29.6179 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6752 28.3188 30.0904 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7138 29.2119 30.7626 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0413 30.4037 31.3663 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0084 31.0401 30.3888 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1123 30.0284 29.6445 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9156 28.9952 29.0689 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3431 28.3195 31.8414 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5976 28.4942 32.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3738 29.1148 31.7163 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8740 27.8394 33.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1070 31.9148 31.1472 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0486 31.3940 31.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3846 30.6837 28.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0123 31.9343 28.0625 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5163 23.8876 25.6615 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7640 23.9813 21.5307 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6683 25.0449 22.2035 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7677 24.7619 23.6881 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3191 24.5627 24.2562 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3482 23.7212 23.4156 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3943 24.2354 22.0333 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9953 25.0326 21.5571 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7491 26.1430 21.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3648 27.1782 21.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0726 25.8674 20.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3574 25.8461 24.4207 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7186 24.3509 20.1569 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9142 23.8285 23.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5705 22.8650 24.9761 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.89651 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 7.3735 26.6534 26.2933 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3753 27.1651 27.4912 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5158 27.8845 28.5779 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7069 28.9568 27.7614 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7512 28.2909 26.6557 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6829 27.7761 25.6247 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0988 26.0560 28.1216 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4997 24.9612 28.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3552 24.8665 28.7175 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4433 23.9087 29.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3993 28.4636 29.5536 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8683 29.3400 26.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6974 28.9623 24.5849 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8358 29.7940 28.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6129 30.0651 29.9900 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1106 31.4025 30.5305 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9889 31.4224 32.0211 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6089 30.8760 32.4948 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1322 29.6019 31.7669 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2482 29.7749 30.3524 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 31.4694 30.0889 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2558 32.6268 29.9634 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7140 33.6402 29.8855 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7380 32.4771 29.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6921 30.5347 33.9193 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0998 32.7890 32.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6569 29.3307 32.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0534 30.3343 32.9016 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1752 25.9489 25.2732 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6976 24.5247 22.2788 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4251 23.8480 23.6461 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1351 24.6142 24.7429 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6285 24.8305 24.3141 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8852 25.2363 22.8557 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1339 24.3030 21.9944 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9684 23.7908 23.8776 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 22.7993 24.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9484 21.9135 24.9856 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8881 22.9938 24.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1581 23.9037 25.9897 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0126 23.7198 21.3255 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3358 25.1308 22.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5360 24.4348 21.1349 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.79135 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 5.2951 27.1418 29.6460 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8748 27.4333 29.2997 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2009 26.7938 27.9133 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7255 25.3038 28.0708 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1519 25.1921 28.3721 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0048 25.6970 29.7575 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1743 28.8676 29.2384 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6310 29.7206 28.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9457 29.3516 27.4872 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9926 31.1549 28.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6132 26.9152 27.6719 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7194 23.7528 28.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8092 23.6116 27.1276 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9581 24.4775 26.8914 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7268 24.5528 25.4578 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9296 24.3337 24.5447 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5566 24.6523 23.1318 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1824 24.0293 22.7433 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0795 24.1754 23.8122 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5778 23.7649 25.0878 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9927 25.3060 25.0747 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1275 24.8975 25.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2412 23.8311 26.0933 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2037 25.9264 25.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6805 24.6922 21.5344 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5590 24.0900 22.2624 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8962 23.2630 23.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8504 22.1066 24.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9712 27.7657 30.9443 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2946 29.5336 33.5602 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8806 28.0913 33.1727 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0339 27.4020 32.4737 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5644 28.3450 31.3379 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7010 29.8367 31.6748 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4307 30.2741 32.2849 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4665 27.3623 34.3876 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1732 27.1305 34.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6849 27.5339 34.0807 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0115 26.3242 35.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6456 26.1710 31.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 30.0939 34.1815 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9242 30.7051 30.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1090 31.9687 30.4779 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.75590 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 5.9471 25.7865 29.0411 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5609 27.0592 29.8799 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0999 26.9373 31.3665 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5388 26.7863 31.2598 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1056 25.4751 30.4398 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4692 25.7809 29.0361 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0265 27.0936 29.8432 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7494 28.0211 29.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2483 28.8114 28.4978 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2257 27.9275 29.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5073 28.1218 32.0727 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6173 25.2798 30.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9876 26.6341 30.2962 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8618 26.6843 32.5479 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2238 27.5731 33.5055 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7019 28.9069 32.9792 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2742 29.7698 34.1235 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4239 28.9750 35.1592 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9651 27.5710 35.5005 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2578 26.8546 34.2984 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8979 29.5176 32.2355 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 30.3632 31.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7738 30.4506 30.6115 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9775 31.1701 30.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 29.7231 36.4207 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4554 30.8358 33.6037 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9234 26.7374 36.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1027 25.9444 35.3242 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3998 25.8800 27.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3847 23.9678 23.9680 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4107 23.3146 24.9810 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2359 24.2260 26.1780 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6553 24.6518 26.6924 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6985 25.0313 25.6316 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7149 23.9584 24.6188 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1237 23.0433 24.3111 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2334 22.1143 24.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4608 21.4501 25.6432 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9846 22.0675 23.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5718 23.5799 27.2742 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4966 23.0280 22.9048 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1000 25.1339 26.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1642 24.9662 27.6751 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.75287 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 8.5269 26.3629 26.8716 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3954 26.8475 28.4363 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8792 26.9521 28.7935 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2952 27.8779 27.6653 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4732 27.2440 26.2004 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9280 27.3351 25.9333 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0336 25.9080 29.3641 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1033 26.2134 30.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6408 27.2272 30.0617 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5081 25.1363 31.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7550 27.5166 30.1101 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7357 28.0743 25.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6705 27.2534 23.9189 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8694 28.1545 27.8018 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8057 27.8929 28.7580 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5255 26.4345 29.1082 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2796 26.3421 29.9306 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2530 27.4149 31.0601 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7065 28.8241 30.6259 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9442 28.7417 29.9148 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3503 25.7428 27.7491 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5709 24.4278 27.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1818 23.8025 28.3107 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9478 23.8679 26.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 27.5545 31.5559 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 25.0429 30.5533 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9808 29.7153 31.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 29.7711 32.7503 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 26.2365 26.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8852 26.5825 22.4090 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6984 25.1195 22.8849 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4306 25.1003 24.3755 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5214 25.9724 25.0899 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8889 27.3096 24.4310 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1598 27.0444 23.0049 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5950 24.4992 22.1256 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3097 24.4669 22.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0170 24.8975 23.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3707 23.8398 21.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5169 23.7823 24.9372 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1533 26.4856 21.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1376 27.9344 25.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0394 28.2100 26.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.73355 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 5.0576 24.6232 28.4087 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9570 25.9599 28.7323 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4131 26.6142 30.0412 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8767 26.7890 29.7581 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1394 25.3865 29.4962 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6362 24.9504 28.1699 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3763 25.6420 28.9199 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3949 26.4518 28.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2090 27.4261 27.9535 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7522 25.9748 28.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0962 27.8623 30.2494 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6519 25.5929 29.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1024 25.3074 30.7978 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1397 27.4218 30.8463 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2293 27.5255 32.2938 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2121 28.9277 32.8952 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5219 28.8552 34.3567 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7250 27.7156 35.0595 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6789 26.3832 34.2830 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3004 26.6218 32.9251 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3061 29.6846 32.1292 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 30.7256 31.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9877 30.9268 30.9084 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2264 31.5834 31.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3506 27.4214 36.3537 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1354 30.1042 34.9627 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6194 25.4469 34.8485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2223 24.4152 33.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5819 23.9834 27.1859 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9255 23.7714 23.0665 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3045 25.1675 23.6222 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4531 25.0920 25.1276 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1842 24.3846 25.7195 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6618 23.1480 24.9742 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5504 23.5023 23.5461 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5493 25.6260 22.9748 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7687 25.0865 23.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9008 24.2514 23.9928 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 25.6780 22.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5335 26.3865 25.7422 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7876 23.9581 21.6621 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2882 22.7151 25.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4282 23.8588 25.8876 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.69725 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 5.9082 27.0215 29.5038 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6741 28.6171 29.8196 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7595 28.7406 31.0789 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5135 27.8516 30.7213 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9086 26.3143 30.4767 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6442 26.3226 29.1902 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9332 29.3218 30.0816 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4334 30.3054 29.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9312 30.6024 28.3012 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6683 30.9579 29.8202 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4294 30.1267 31.2729 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 25.4806 30.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6021 24.5755 31.5346 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4817 27.8315 31.7523 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4012 27.6807 33.1962 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8060 28.8421 33.9869 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9938 28.6057 35.4518 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6273 27.1452 35.8521 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1529 26.0588 34.8910 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8303 26.4028 33.5413 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 30.0702 33.5135 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1975 31.3346 33.7488 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1132 31.5827 34.0475 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2723 32.3566 33.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 26.8503 37.1686 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1151 29.4948 36.1689 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4794 24.7172 35.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2094 23.9853 33.9134 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7935 26.8954 28.3292 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8173 24.6149 25.5298 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2786 24.5198 25.3719 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6146 25.5939 26.2082 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2099 25.5367 27.6583 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7286 25.3482 27.7835 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1089 24.2104 26.9243 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9284 24.6478 23.9437 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8145 24.1080 23.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0912 23.4765 24.0141 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6507 24.4236 21.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1974 25.4033 26.3315 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3365 23.5571 24.7314 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1744 25.0058 29.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1000 23.5346 29.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.69041 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 5.2464 24.6043 28.1805 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5203 25.5407 28.6284 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1576 26.2577 29.9670 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7829 26.9532 29.6548 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6366 25.8969 29.2680 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0282 25.4019 27.9272 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7423 24.7557 28.8313 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8420 24.8416 28.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8587 25.4921 27.0931 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0077 24.0345 28.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2043 27.1903 30.2872 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 26.5931 29.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 25.8257 30.0439 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2425 27.7281 30.7663 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7777 27.4898 32.1233 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5364 28.1815 33.2521 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0617 27.6635 34.5724 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5069 27.5853 34.6363 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8347 27.0107 33.3721 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3488 27.6606 32.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0063 27.8152 33.0041 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0342 28.5078 33.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8979 29.5742 33.9435 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3303 27.7734 33.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1165 26.7116 35.7485 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5015 28.5739 35.5993 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 27.2809 33.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2936 26.9066 32.1052 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5910 23.9022 26.9284 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6394 23.6936 22.7947 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1638 25.0516 23.3263 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4067 24.9538 24.8181 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1286 24.3439 25.4929 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4615 23.1576 24.7822 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2828 23.5298 23.3656 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3945 25.4157 22.5972 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6283 24.9613 22.9286 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7841 24.2847 23.8392 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7019 25.4210 22.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6299 26.2336 25.4283 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4227 23.9006 21.4033 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0915 22.8305 25.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5401 23.8997 26.2265 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.67471 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 6.8471 26.9046 26.5033 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6229 26.8850 27.9518 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6388 27.4094 29.0445 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1472 28.7877 28.4704 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3793 28.6281 27.0690 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4447 28.2693 26.1033 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0668 25.5382 28.3258 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2279 25.2724 28.9752 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9946 26.0971 29.2095 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4135 23.8405 29.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3544 27.5355 30.2853 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7711 29.9417 26.6621 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3394 29.9250 27.1469 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2222 29.5003 29.3449 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2665 30.5958 30.3000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5538 30.2408 31.7559 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3546 31.4459 32.6192 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0146 32.7143 32.0004 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7867 32.8892 30.4846 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0881 31.6701 29.8012 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5356 29.1411 32.0883 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8682 28.0001 32.7212 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9601 27.6397 32.7871 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7182 27.2748 33.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4562 33.9080 32.6454 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9814 31.1975 33.8929 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7264 33.9343 29.8983 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7755 34.3272 30.8344 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7626 26.3856 25.4679 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8478 24.4640 22.3416 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4929 23.8520 23.7205 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9711 24.7732 24.8236 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4698 25.1455 24.5481 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8517 25.4812 23.0993 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3239 24.4053 22.2384 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0356 23.6285 23.7916 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4579 22.6640 24.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 21.9311 25.1583 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9722 22.6752 24.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9260 24.1566 26.1189 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3815 23.5172 21.3865 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3427 25.5314 22.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1415 25.1384 24.0831 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.66487 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 6.3002 29.0664 28.8841 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4024 27.8563 28.7385 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9687 27.8786 27.2838 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6807 27.8385 26.3835 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7272 29.1085 26.6226 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1519 28.8894 27.9707 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5172 28.0044 29.6797 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8061 27.1159 30.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1326 26.2086 30.8785 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0564 27.4145 31.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8208 26.7343 27.1047 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6152 29.1158 25.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1636 29.7810 24.3688 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9566 27.8200 24.9512 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1930 26.8329 23.9100 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5529 26.1409 23.9005 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6967 25.3253 22.6550 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4151 24.4894 22.3616 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0870 25.2503 22.5549 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0846 25.9155 23.8204 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5670 27.2927 23.9343 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8259 27.1490 24.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1331 26.2571 25.0509 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7662 28.2186 23.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4414 24.0473 20.9627 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7914 24.4066 22.8408 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 24.2968 22.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6549 23.6686 21.2927 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7783 29.0689 30.2651 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6473 29.2207 32.9682 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6386 27.9218 32.1228 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9546 27.7867 31.3854 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2567 29.1398 30.6515 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9865 30.4340 31.4323 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6265 30.3383 31.9968 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3902 26.7677 33.0089 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7188 25.6542 32.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2661 25.5693 31.5762 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6489 24.6053 33.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9233 26.7643 30.3786 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3693 29.2626 33.5936 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0142 31.6703 30.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8403 31.3733 29.1031 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.65208 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 7.4659 26.5153 26.4983 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6159 27.2635 27.4028 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9960 27.6198 28.7906 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6912 28.4149 28.4212 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6574 27.5311 27.5670 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3019 27.3889 26.2403 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7928 26.4152 27.6170 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0680 26.8769 27.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3211 27.9768 27.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0923 25.8482 27.9997 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9467 28.4045 29.5309 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3586 28.2713 27.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3118 27.4800 28.1546 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9381 28.8914 29.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3597 28.3391 30.7904 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8924 28.8667 32.1194 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3442 28.0481 33.2448 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8151 27.7964 33.0836 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3676 27.4191 31.6561 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9203 28.3391 30.7116 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4156 28.7133 32.0074 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2811 29.4056 32.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9632 30.3573 33.3376 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6522 28.8259 32.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4189 26.6819 33.9518 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5459 28.7757 34.4723 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8564 27.5261 31.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 28.2645 30.3021 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0515 26.1516 25.1928 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7136 24.4777 22.2154 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4110 23.8808 23.6132 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0641 24.7326 24.6818 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5655 24.9614 24.2892 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8621 25.2818 22.8172 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1639 24.2768 21.9927 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9491 23.7995 23.8001 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3366 22.8416 24.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9382 22.0035 25.0358 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8617 23.0053 24.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0618 24.1023 25.9712 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0817 23.5968 21.2931 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3279 25.1899 22.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2308 25.3434 23.6623 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.65183 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 6.9404 25.7736 28.6946 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8073 26.7841 29.6577 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1666 26.7775 31.0813 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6540 27.1076 30.8091 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9446 26.0055 29.8810 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5385 26.2151 28.5396 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2109 26.3745 29.7714 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2333 26.9678 29.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0519 27.7978 28.3303 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5892 26.4586 29.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8266 27.7690 31.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4657 26.2675 29.8087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 25.5405 28.5853 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8368 27.1892 32.0147 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 28.0739 32.5786 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2800 27.7164 33.9563 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1198 28.6019 34.2832 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4196 30.0934 33.9467 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1206 30.3235 32.5917 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2456 29.4498 32.4689 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8441 26.2505 33.8242 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 25.8445 32.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1278 26.5834 32.5147 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9009 24.3853 32.6731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1551 30.8356 33.8921 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8664 28.5100 35.6989 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6814 31.7356 32.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3106 32.5661 33.6309 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5552 25.7539 27.3525 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5440 24.1698 23.6646 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6692 23.6055 24.8126 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8755 24.4344 26.0633 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4167 24.5803 26.3167 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3017 24.8680 25.0955 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9471 23.8913 24.0479 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2553 23.6024 24.3888 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3459 22.6876 24.8069 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6487 21.8265 25.4982 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9736 22.9285 24.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3169 23.8199 27.2339 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2960 23.3124 22.5558 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7754 24.6960 25.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0571 24.0222 26.6867 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.59399 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 4.1078 26.9331 30.1434 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6375 28.4940 30.3503 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9570 28.6218 31.7495 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8574 27.4986 31.7314 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4850 26.0306 31.5565 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9630 25.9984 30.1541 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7674 29.4270 30.2896 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9398 30.3510 29.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2374 30.4108 28.4026 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0989 31.2687 29.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4117 29.9463 31.8762 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4156 24.9885 31.7339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 25.5652 31.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0499 27.4373 32.9447 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2634 27.3671 34.3812 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6067 28.4458 35.2377 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0993 28.3429 36.6462 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1032 26.8685 37.1498 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6472 25.8395 36.1372 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0246 26.0301 34.8644 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0431 29.7664 34.5883 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4144 30.9363 34.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6494 30.9788 35.2496 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2144 32.1429 34.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9553 26.7712 38.3403 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2091 29.0971 37.4921 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3059 24.4152 36.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0271 23.9674 36.0112 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7758 26.8088 28.8327 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6818 24.5584 25.9283 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2777 24.0053 26.2807 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5219 25.0260 27.1060 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4440 25.4963 28.2846 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9174 25.7723 27.9521 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4313 24.6085 27.2046 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5597 23.6739 25.0343 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7365 22.6048 24.9011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5845 21.8651 25.7617 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0828 22.5157 23.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3306 24.4874 27.6981 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 23.5222 25.1816 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7875 25.9243 29.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5327 24.6679 29.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.58502 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 3.6228 26.7841 29.4999 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9891 28.2598 29.8480 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9552 28.4272 31.3998 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1948 27.1437 31.8951 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9629 25.7885 31.5044 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7977 25.6811 30.0356 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7801 29.3532 29.2739 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2982 30.2537 28.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2369 30.1687 27.9459 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2510 31.3471 28.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2674 29.6500 31.7153 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2963 24.6109 32.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8101 24.8863 32.1377 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0067 27.0845 33.3405 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0431 27.5524 34.3238 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0020 26.8218 35.6627 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1734 27.2915 36.4594 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3036 28.8439 36.4350 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0881 29.4904 35.0509 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1108 28.9861 34.4573 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8646 25.3404 35.2847 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2094 24.3365 36.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8963 24.5090 37.0213 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6162 23.0157 35.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6565 29.2179 36.8627 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0177 26.8850 37.8288 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1096 30.9960 35.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2111 31.4400 36.5525 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6825 26.6276 28.0331 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3758 24.7827 27.7355 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4208 26.2722 27.3101 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1361 26.9585 27.7257 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9253 26.0900 27.2356 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0346 24.5699 27.4219 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3427 24.1479 26.8852 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6024 26.9150 27.9178 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5038 27.6480 27.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4099 27.7751 26.0846 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5743 28.2421 28.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 28.2570 27.1333 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6065 24.2313 27.2802 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9821 23.7981 26.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6017 23.9563 27.2394 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.56826 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 5.3706 24.6165 28.2380 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6733 25.5536 28.5918 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3885 26.3080 29.9287 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0037 27.0065 29.6729 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8310 25.9501 29.3763 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1460 25.4175 28.0298 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8990 24.7639 28.7490 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0053 24.9142 27.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0261 25.6320 27.0799 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1725 24.0829 28.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4574 27.2397 30.1674 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5034 26.6545 29.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6747 27.8373 28.4009 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5296 27.8144 30.7911 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2316 29.2112 31.0640 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1835 29.9590 31.9929 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6149 31.3018 32.3254 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0622 32.0237 31.0602 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2411 31.1276 30.1099 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9553 29.9191 29.8390 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2781 29.0682 33.2395 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4224 28.4792 33.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3184 28.3553 32.9227 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4257 28.0306 35.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1711 33.1112 31.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6701 32.1158 32.8739 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0329 31.7960 28.7574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9245 32.7460 28.7709 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6421 23.8795 26.9879 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6626 23.6909 22.8531 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1973 25.0436 23.3878 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4494 24.9373 24.8775 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1727 24.3306 25.5576 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4949 23.1512 24.8455 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3089 23.5313 23.4319 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4251 25.4050 22.6525 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6604 24.9531 22.9817 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8200 24.2811 23.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7304 25.4091 22.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6831 26.2129 25.4925 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4379 23.9059 21.4641 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1267 22.8284 25.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 23.8270 26.4107 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.56538 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 8.1521 24.4964 28.1674 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3104 26.0341 28.7247 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0226 26.4021 29.5268 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8559 26.0794 28.5240 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8197 24.5292 28.1058 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0099 24.3526 27.2406 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4732 26.1888 29.6049 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2773 27.2814 29.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1434 28.1430 28.8687 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3281 27.2660 30.6794 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0888 27.7918 29.8903 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5821 24.2411 27.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4886 23.9123 28.2922 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5256 26.3758 29.0441 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9107 26.6795 30.3263 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2486 28.0460 30.4763 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8608 28.2662 31.9039 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1650 27.0122 32.5128 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8351 25.6667 32.1652 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0731 25.5885 30.7576 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3269 29.0432 30.0301 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2148 29.7977 28.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4649 29.5396 28.0853 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1188 30.9814 28.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1806 27.1188 33.9761 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9239 29.3601 31.9538 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9255 24.4910 32.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5003 24.4921 33.8926 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3772 24.1309 27.4291 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1251 26.6649 24.1660 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4554 25.2921 23.9041 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3118 24.5392 25.2104 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6954 24.5535 25.9494 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4735 25.8772 25.9509 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5213 26.3678 24.5601 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1482 25.5061 23.2527 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5050 24.5590 22.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9763 23.5312 22.3458 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1763 24.9932 22.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9549 23.1621 25.0201 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2339 27.2732 22.8837 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9031 25.7290 26.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3909 26.9013 27.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.53633 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 3.5344 27.0367 28.7325 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1750 25.4342 28.6781 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5009 24.6394 28.4601 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1335 25.3143 27.1892 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4561 26.8707 27.4194 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1250 27.5203 27.4669 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5429 24.9646 29.9153 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1090 25.0634 31.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1794 25.4586 31.2893 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 24.6259 32.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1782 23.2520 28.2632 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2262 27.4160 26.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6681 28.8099 26.6319 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3914 24.7129 26.7603 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4644 25.0064 25.8239 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8920 24.7435 26.2942 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8622 25.2929 25.2973 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4613 24.9231 23.8378 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9600 25.0801 23.5189 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1763 24.4411 24.5296 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9930 25.4808 27.6368 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5732 24.9442 28.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7599 23.8114 28.8186 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9589 25.9344 29.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1784 25.8017 22.9068 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1560 24.7152 25.5606 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5939 24.3874 22.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6301 23.3082 22.4067 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2888 27.7945 28.9643 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7964 30.6691 31.5328 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6929 29.8040 32.1928 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4053 28.5974 31.3237 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1739 29.0867 29.8513 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1282 30.1629 29.3142 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1854 31.2469 30.3138 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1307 29.4082 33.5457 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 29.2350 34.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1612 29.4302 34.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9559 28.7782 35.8354 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2171 27.8979 31.7222 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9702 31.7772 32.4091 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6597 30.7852 28.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5476 30.4612 26.8518 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.52905 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 4.7002 28.0228 31.0621 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0409 26.6361 30.4768 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1463 25.8560 29.6978 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7008 26.9166 28.6787 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3415 28.1935 29.4124 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1786 28.9129 29.9836 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5207 25.7750 31.5438 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2288 25.3706 31.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4221 25.7501 30.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9561 24.4028 32.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5422 24.7183 29.0587 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0197 29.0802 28.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4586 28.6238 28.3251 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7455 26.4057 27.7981 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8393 25.6493 26.5599 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1941 25.0363 26.2178 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1626 24.4830 24.8286 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8662 23.6601 24.5645 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5694 24.3068 25.0938 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7464 24.7156 26.4524 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1815 26.2062 26.3309 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3782 26.1003 26.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6155 25.2372 27.6636 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3500 27.1705 26.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6889 23.4969 23.1172 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2887 23.5978 24.6695 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4177 23.3105 25.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7160 22.1033 24.3444 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6678 28.7547 31.8225 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9978 30.2771 34.8862 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2495 28.9836 35.2967 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6704 28.3188 34.0651 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8808 29.3954 33.2415 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5352 30.7757 33.0870 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9542 31.2232 34.4293 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1818 28.0892 36.0104 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8180 27.2947 37.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7482 27.3083 37.4553 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9208 26.4412 37.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7402 27.2737 34.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4764 30.8301 36.1073 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5938 31.8263 32.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2354 31.6184 31.1049 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.52402 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 4.0891 28.0214 28.2037 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2803 26.3897 28.1659 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7461 26.0757 27.7299 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9177 26.8866 26.3942 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7343 28.4674 26.6102 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2862 28.6380 26.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0356 25.7716 29.4731 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8929 25.1200 29.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 25.0777 29.0938 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9159 24.4708 31.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8781 24.6551 27.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0922 29.2047 25.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1803 28.6774 24.2652 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2239 26.7262 25.7648 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7578 26.3304 24.4715 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2752 26.3380 24.3113 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6335 26.1123 22.8768 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8078 24.9480 22.2522 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3071 24.9532 22.6102 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1420 25.1070 24.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7011 27.7362 24.7801 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9500 28.0227 25.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6892 27.1967 25.5067 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2831 29.4747 25.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8868 25.0354 20.7897 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0271 25.7515 22.8108 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6475 23.6261 22.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1650 22.9154 23.4399 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 28.3276 28.6402 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5807 30.5888 31.9967 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6004 29.4278 32.3010 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5644 28.4721 31.1266 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3371 29.3018 29.8148 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1288 30.6091 29.6686 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9511 31.3796 30.9145 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0222 28.7491 33.5421 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 28.8841 34.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4789 29.5808 34.8379 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9594 28.0547 35.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4877 27.5270 31.2139 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5206 31.4324 33.1416 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6362 31.4827 28.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9234 30.9115 27.1797 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.43501 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 4.7286 26.0505 30.6892 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9521 27.5245 31.3806 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6232 27.4094 32.9024 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1847 26.7761 32.9243 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1453 25.3231 32.2412 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3282 25.5902 30.7951 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3299 28.0043 31.2319 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7051 28.9882 30.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9636 29.4661 29.6386 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1393 29.3901 30.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6724 28.7236 33.4839 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7989 24.6890 32.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 25.7853 32.2889 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6353 26.5944 34.2633 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8371 27.3509 35.2146 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5843 28.2675 36.1789 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6381 28.7970 37.2092 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3052 29.2891 36.5697 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2800 28.3536 35.4914 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7349 27.9990 34.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6521 27.3650 36.8126 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9532 27.7047 36.8818 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3987 28.5355 36.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7394 26.9346 37.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7148 29.4050 37.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2605 29.9238 37.8572 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3684 29.0486 34.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 30.5034 34.7487 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 26.1442 29.2542 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4822 24.4895 25.7358 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1903 23.7964 26.2383 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5618 24.6282 27.3370 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6677 24.9771 28.3934 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0420 25.3985 27.8536 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4529 24.3975 26.8504 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2669 23.6086 25.1022 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4779 22.5170 24.9457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5194 21.6464 25.6883 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 22.5855 23.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5229 23.9277 28.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0005 23.6219 24.7335 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1175 25.4230 28.9121 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6422 24.0562 29.2558 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.43230 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 8.8752 26.2862 25.5411 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9156 27.4302 24.8549 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5394 28.4782 25.9492 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9534 27.6026 27.1158 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0278 26.5604 27.6978 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1846 25.5528 26.6225 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5831 28.1241 23.7486 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8020 28.7120 23.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3690 28.7750 24.8425 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3322 29.2547 22.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5825 29.3977 25.3955 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4795 25.8864 28.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1586 24.4627 28.5308 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4935 28.3740 28.2652 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2433 28.6339 28.9607 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3972 29.8016 28.4619 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2690 30.0508 29.4118 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5653 28.7258 29.8321 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5216 27.5619 30.1653 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4926 27.4144 29.1263 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3695 30.9889 28.4258 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 32.0555 27.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4926 32.0197 26.7111 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9679 33.2640 28.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7689 28.9687 31.0402 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2939 30.8783 28.7475 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7795 26.2336 30.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9658 26.1074 31.4339 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2570 25.3047 24.5066 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7705 24.8564 22.3212 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7980 23.9595 23.5847 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9370 24.3871 24.4868 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2450 24.4858 23.6264 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1237 25.1404 22.2427 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9851 24.5084 21.5488 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4953 24.0503 24.2728 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 22.9971 24.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3424 21.9487 24.8318 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6085 23.3511 25.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1981 23.4426 25.5354 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6906 24.3589 21.5387 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3383 24.9271 21.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5748 25.5963 21.9065 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.40939 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 4.6336 27.4676 29.3928 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4983 26.7603 28.4383 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1137 25.4668 27.8173 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4477 25.9711 27.1560 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4619 26.6029 28.2290 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8281 27.8818 28.6272 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2922 26.3944 29.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2674 25.4815 30.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1957 24.8632 30.4723 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9522 25.3589 30.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1805 24.9241 26.8674 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7857 26.8937 27.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6887 25.7222 27.8894 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2027 24.9282 26.4702 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5757 24.5843 25.1075 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4429 24.3347 24.1160 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9997 23.7937 22.8376 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2564 24.5892 22.3733 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2630 24.9220 23.4941 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5786 25.4933 24.6118 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 23.3041 24.8146 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3288 22.9573 24.3523 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7608 23.6098 23.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8083 21.6696 24.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9872 23.7935 21.3806 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9918 23.9228 21.8157 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2681 25.9738 23.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5792 25.7900 23.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0513 28.6783 30.0048 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0991 27.9533 33.9429 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5722 28.1466 33.7614 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2260 28.1017 32.2875 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1870 29.0749 31.5193 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6684 29.0571 31.9224 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7319 29.1737 33.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8571 27.1021 34.5204 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6452 27.2885 35.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1208 28.3056 35.0585 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 26.0707 35.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8862 28.5410 32.0194 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3173 28.0363 35.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4549 30.2150 31.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 30.5424 32.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.38663 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 6.8648 27.6955 28.9657 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2941 28.3031 27.5496 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7725 27.1165 26.6794 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9902 26.1233 26.6380 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3999 25.5963 28.0987 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0040 26.7765 28.7608 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1965 29.2537 27.7555 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0028 30.3669 27.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7492 30.6870 26.1903 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7538 31.1209 27.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4096 27.6220 25.3831 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4376 24.5141 27.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7056 24.0198 29.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7531 24.9246 25.8414 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9175 24.4951 24.4620 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6485 24.2761 23.6435 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9944 23.6419 22.3338 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2219 24.3305 21.6656 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3887 24.6466 22.6243 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8967 25.3122 23.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7934 23.3401 24.5089 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5080 23.0524 24.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8824 23.7046 23.5153 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9897 21.8279 24.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7634 23.4438 20.6296 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8672 23.7907 21.4483 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3846 25.6080 21.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4863 26.8673 22.7208 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3368 28.8140 29.8058 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9731 27.7721 33.5725 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8950 28.5027 32.7325 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3433 28.5812 31.2878 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8087 29.1396 31.2497 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7937 28.5897 32.2912 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1423 28.6802 33.6121 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6099 27.7890 32.8655 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4011 28.4025 32.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3182 29.5406 32.7398 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2518 27.4645 32.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5365 29.4734 30.5049 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4687 27.7751 34.9035 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0738 29.3841 32.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1634 30.4809 31.3554 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.37812 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 8.5715 26.8046 26.9734 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3749 28.1678 26.0770 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0242 28.8353 26.4859 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9754 27.6744 26.3337 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2915 26.4331 27.3025 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5056 25.8121 26.7224 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4593 29.1323 26.2880 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8824 30.0187 25.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4620 30.0176 24.2814 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9193 30.9803 25.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7739 29.9438 25.6048 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1626 25.4411 27.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9639 25.0810 25.7996 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6039 28.0684 26.6367 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9202 29.1215 27.3700 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5321 28.8261 28.8158 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6632 29.9245 29.3408 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2269 31.3304 28.9760 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7360 31.4680 27.5261 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6061 30.3791 27.2083 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7683 27.4967 28.7415 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6356 26.6667 29.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3214 26.7427 30.7156 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5309 25.6759 29.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1653 32.3297 29.1407 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 29.8223 30.7778 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5707 32.7292 27.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9694 32.4336 27.0517 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8595 26.1805 26.6112 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4923 26.0121 22.4917 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0251 24.7060 23.1828 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8961 24.9381 24.6740 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2154 25.6119 25.1901 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8130 26.7313 24.3256 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8868 26.2325 22.9389 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7463 24.2722 22.5869 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5716 24.9249 22.7677 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5062 25.8483 23.4416 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4348 24.3291 22.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7344 23.7182 25.4127 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6040 25.6802 21.1121 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2169 27.1117 24.7282 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3019 27.6785 26.1185 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.29810 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 6.6700 26.1046 29.4504 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5668 27.2734 30.1785 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1949 27.3064 31.6944 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6295 27.4497 31.6895 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9038 26.2099 30.9716 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2202 26.3793 29.5338 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0070 27.0274 30.0527 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5973 25.8278 30.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0037 24.9253 30.6781 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0583 25.7854 29.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8638 28.4219 32.3076 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4150 26.3045 31.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0452 27.7576 30.9681 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0359 27.5346 33.0193 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 28.5634 33.9974 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8860 29.1588 34.7829 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3633 30.0354 35.8762 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2277 30.9743 35.3697 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1879 30.2971 34.4529 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8511 29.5591 33.4235 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6261 27.9395 35.3503 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9341 27.9579 35.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6443 28.7711 35.2684 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3614 26.8627 36.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4873 31.4964 36.5239 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4448 30.8632 36.3473 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3271 31.3270 33.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 31.8406 34.5769 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0343 26.0490 28.0208 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5138 24.0225 24.4493 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4480 23.6419 25.5080 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5044 24.6222 26.6612 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9949 24.7534 27.1323 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0679 24.8500 26.0382 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8269 23.7546 25.0794 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1161 23.6258 24.8720 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2241 22.6151 25.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4835 21.6814 25.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9294 22.8558 24.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7448 24.1852 27.7978 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3933 23.0340 23.4323 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4721 24.6714 26.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5564 23.7137 27.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.28504 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 8.3491 25.9914 29.2846 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3551 25.0184 28.4234 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7669 24.8501 26.9871 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2917 24.3718 27.2438 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4332 25.4507 28.0673 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0001 25.4067 29.4357 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7078 25.5747 28.3157 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9844 26.8189 27.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1640 27.5046 27.4272 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4221 27.2112 27.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5599 23.8841 26.2759 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9907 25.0294 28.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2964 25.7135 26.9651 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5305 24.1119 26.0269 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7811 24.0077 24.5984 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5654 23.8898 23.6837 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0098 23.5831 22.2889 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2057 24.4819 21.8535 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3065 24.6569 22.9203 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7198 25.0159 24.1736 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7519 22.7317 24.2781 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5343 22.8969 24.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 23.9325 25.1597 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 21.6445 24.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8537 23.8825 20.6815 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9097 23.8473 21.3961 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2493 25.7984 22.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8030 25.6637 21.2197 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9114 26.1769 30.6369 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5567 29.1503 33.4433 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8993 29.6899 32.1478 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4165 28.5302 31.3017 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5878 27.4967 31.1566 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4088 27.1893 32.4171 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8053 28.4781 33.0162 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7933 30.5990 32.5071 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8733 31.9502 32.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8431 32.4670 32.1064 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6099 32.6462 32.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0459 28.9294 29.9738 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9928 30.3086 34.1461 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6818 26.4310 32.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5033 25.3350 31.1162 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.28500 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 6.4045 23.8219 25.3984 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2622 24.6531 26.5271 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6379 24.3667 27.9291 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1161 24.7093 27.7347 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4181 23.7851 26.6221 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9925 24.2545 25.3392 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6747 24.2596 26.5518 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6869 25.0803 26.9292 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5076 26.1875 27.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0281 24.4266 26.9874 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2873 25.2039 28.9011 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9335 24.0242 26.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3088 22.8389 25.9111 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3112 24.5465 28.9403 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4529 25.3628 29.7837 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9543 26.7574 30.1469 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0562 27.3656 31.1768 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5524 27.1658 30.8213 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1883 25.7546 30.3153 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0991 25.3535 29.2887 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3649 26.5223 30.7046 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2661 27.5103 30.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1564 28.5221 30.3225 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3826 27.1846 31.7928 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7414 27.3994 32.0215 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3158 28.7824 31.2223 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1925 25.7336 29.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0175 26.8633 30.0908 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0043 24.0668 24.0718 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3511 27.4764 24.0831 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8675 27.7763 24.4159 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1368 26.4791 24.6943 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4404 25.4751 23.5279 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8898 25.4039 23.0263 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3424 26.7854 22.7733 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8050 28.6946 25.5699 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6109 30.0319 25.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5221 30.5327 24.4323 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5265 30.7351 26.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 26.6448 24.7416 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9339 28.7474 23.8166 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0356 24.6516 21.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4648 24.5104 21.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.27812 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 3.9004 27.6552 30.0162 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0567 26.8317 28.8714 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0282 25.8328 28.1674 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2285 26.7404 27.7130 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9669 27.4446 28.9532 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9969 28.4568 29.4337 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 26.0758 29.4429 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6711 26.5515 29.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4037 27.6323 29.2563 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3255 25.5617 30.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3363 25.2165 27.0678 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2121 28.1437 28.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3330 27.1326 28.5612 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2740 26.0253 26.9894 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5230 25.5569 25.6356 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9572 25.1742 25.2824 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0660 24.9215 23.8123 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8923 24.0399 23.2900 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5015 24.4226 23.8372 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5558 24.5564 25.2596 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7914 26.3922 25.7031 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0165 27.4432 24.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8608 27.3739 23.7529 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4575 28.6809 25.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8133 24.1634 21.8301 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2960 24.2121 23.5658 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4769 23.3295 23.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5268 22.2596 24.5562 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9828 28.5843 30.7048 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9540 27.6323 34.6142 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4471 27.4335 34.3122 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2153 27.5005 32.8169 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9128 28.7910 32.2611 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3143 29.1145 32.7982 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2553 29.0410 34.2708 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0057 26.1419 34.8740 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2688 26.0258 36.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9779 26.9481 36.6193 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8977 24.6249 36.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8247 27.5983 32.4755 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0567 27.5770 36.0328 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7811 30.5065 32.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8117 30.7673 30.9681 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.25958 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 3.6152 29.2102 29.7436 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1285 27.7245 29.2376 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2559 27.1140 28.3469 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5224 28.2279 27.2702 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0242 29.6053 27.9261 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8281 30.1424 28.6167 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8687 26.8140 30.3575 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8754 25.8901 30.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1054 25.8129 29.5218 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8762 24.9965 31.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7778 25.8817 27.7806 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4413 30.5674 26.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1737 31.0348 26.1703 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5365 27.8713 26.2841 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4612 26.7775 26.0335 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3833 26.3676 27.1780 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3970 25.3851 26.6837 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7462 24.2811 25.7977 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7100 24.7965 24.7774 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7766 25.6645 25.4249 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0465 27.6789 27.6218 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5308 27.8730 28.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2208 27.2021 29.7464 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4981 29.0002 28.9786 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7950 23.6092 25.0221 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9953 24.7406 27.8254 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8820 23.6554 24.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4224 23.1567 22.9406 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 29.7843 30.6081 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7074 30.0307 34.1414 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3792 29.2492 34.3062 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8024 28.9340 32.9416 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7791 30.2529 32.0928 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0181 31.1565 32.1710 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3342 31.3570 33.5984 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6317 28.0223 35.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 27.8737 36.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7988 28.7310 36.9729 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5895 26.5271 36.9397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4503 28.4571 33.0082 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1472 30.2952 35.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7971 32.5258 31.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5760 32.4974 30.0889 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.25317 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 4.1359 27.9109 29.6647 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7325 28.2319 29.4451 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2441 27.3826 28.2392 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8131 25.9166 28.6083 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2207 25.7649 28.7523 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8922 26.4924 30.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9800 29.6492 29.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7536 30.4558 29.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2116 30.0928 30.9206 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9565 31.8295 29.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6691 27.5445 28.1345 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 24.3161 28.9181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 23.9853 27.8087 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2150 24.9139 27.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0312 24.6573 26.2086 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2882 24.5535 25.3500 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9100 24.4999 23.9039 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7321 23.5116 23.6518 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5825 23.5990 24.6771 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1093 23.5678 26.0058 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0777 25.8294 25.6739 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4104 25.9295 25.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0799 24.9982 25.4054 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9221 27.3277 25.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1412 23.7954 22.3392 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0491 24.0305 23.1563 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6528 22.3973 24.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9558 22.3420 23.2917 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6376 28.7297 30.7876 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4802 29.1631 34.7379 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9953 28.8716 34.5923 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4057 29.0269 33.1426 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4098 28.2055 32.2514 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9179 28.2987 32.6022 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7843 28.0511 34.0507 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7518 29.7835 35.4727 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9124 29.4461 36.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3538 28.3950 35.9806 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5161 30.5532 36.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7201 28.5135 32.8807 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1976 28.9668 36.1191 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 27.2616 31.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 27.0619 32.5428 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.24072 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 3.7752 27.5234 30.3267 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0147 26.9926 28.9701 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7088 25.6756 28.5000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2279 26.0691 28.4083 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8268 26.5315 29.8249 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1959 27.8479 30.0802 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5929 26.7182 29.2021 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1264 25.8726 30.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8345 25.2409 30.8049 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3608 25.8413 30.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1472 25.2864 27.2348 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3158 26.7136 29.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9413 25.3858 30.0815 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0953 24.9894 27.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9662 24.7102 26.8196 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4492 25.0805 25.4325 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3710 24.5371 24.3875 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8648 24.8054 24.7398 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2398 24.5442 26.2134 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3012 25.1887 27.0781 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0648 24.4222 25.3533 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8767 23.1574 24.9313 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6800 22.5939 24.3284 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5684 22.5637 25.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7135 23.9224 23.9319 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0837 25.2025 23.1419 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5967 25.1446 26.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2870 24.3979 27.6037 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1084 28.7553 30.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1711 28.6126 34.7910 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7132 28.1465 34.5477 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4890 27.9319 33.0652 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9931 29.2022 32.2952 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3259 29.8130 32.7514 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2638 29.9745 34.2168 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 26.9139 35.3201 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2515 26.5774 35.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3482 27.2716 35.7131 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2371 25.2599 36.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1027 27.7656 32.7328 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2666 28.8069 36.1978 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5848 31.1822 32.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5404 32.0028 32.9933 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.21368 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 8.9434 26.7661 25.3721 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1050 27.8387 24.4518 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7037 29.0504 25.3507 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9811 28.3806 26.5756 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9476 27.3885 27.3885 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1312 26.2290 26.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8938 28.3340 23.3190 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1455 28.8454 23.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6500 29.0008 24.4508 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7978 29.1768 22.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8452 29.9203 24.5931 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2691 26.9252 28.6478 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5086 25.6678 28.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4770 29.3308 27.5609 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2512 30.0686 27.8205 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3578 29.5623 28.9491 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0581 30.3023 28.9361 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2692 31.8361 28.7622 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3135 32.2296 27.6970 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5172 31.4835 27.8936 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1559 28.0730 28.6365 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 27.1973 29.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6263 27.4302 30.6559 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1362 25.9357 28.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0022 32.4503 28.3494 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 30.0864 30.2015 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7106 33.6945 27.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3082 34.4818 26.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3493 25.6284 24.5232 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7906 24.6140 22.6685 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9652 23.9141 24.0401 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1155 24.5503 24.7925 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3588 24.6187 23.8384 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1040 25.0552 22.3885 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9830 24.2476 21.8703 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7015 24.0081 24.7972 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8756 22.9555 25.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1061 21.9221 24.5811 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6943 23.2874 25.8563 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5139 23.7894 25.9424 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7119 23.9305 22.0399 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2796 24.8076 21.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5851 25.2894 22.0451 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.20837 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 7.1506 26.3317 26.1084 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6556 26.5112 25.4733 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9829 28.0363 25.4065 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7589 28.6449 24.6304 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3692 28.4135 25.4013 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1105 26.9605 25.2675 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6822 25.8446 26.2810 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1006 24.5700 26.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6099 23.8873 25.2941 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2377 24.1442 26.9481 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2330 28.2083 24.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 29.1728 24.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2637 29.5400 25.7851 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 30.0841 24.4108 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7867 31.1613 24.6881 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1088 31.4461 26.1521 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9117 32.7036 26.2580 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0584 32.7464 25.2040 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6540 32.2869 23.7878 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9593 31.0394 23.8585 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7360 31.6019 26.8212 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3601 30.8887 27.8996 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9053 29.9219 28.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2104 31.4660 28.6508 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5369 34.1272 25.0725 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5123 32.7469 27.5673 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8764 32.0300 22.9168 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4118 33.2563 22.3332 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8430 24.8906 26.1992 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 24.9462 27.9290 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2201 24.9233 28.9818 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5447 25.2099 28.3055 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6804 24.2712 27.0561 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4346 24.0938 26.1764 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3043 23.7634 27.0657 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9234 25.9108 30.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3401 25.5959 31.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0052 24.5247 31.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1991 26.7519 32.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6701 24.9397 29.1542 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8986 24.6439 28.6582 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5581 22.9602 25.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4983 23.2626 24.0536 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.20568 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 5.3427 24.7556 28.2535 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6391 25.6915 28.6328 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3097 26.4832 29.9374 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9421 27.1856 29.6100 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7723 26.1310 29.2960 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1342 25.5603 27.9772 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8508 24.8967 28.8581 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9646 24.9718 28.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0030 25.6203 27.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1153 24.1559 28.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3768 27.4126 30.1928 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4539 26.8441 29.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4007 25.9007 29.7111 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4324 28.0266 30.6875 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6248 28.1795 32.1206 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7796 27.2985 33.0359 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9523 27.7328 34.4567 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4506 27.9779 34.8071 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2493 28.7468 33.7342 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0285 28.1623 32.4482 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3389 27.5208 32.5551 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3611 26.6100 32.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5939 25.5067 32.9554 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 27.1566 32.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5309 28.7750 36.0363 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4639 26.6814 35.3128 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7489 28.6478 33.9807 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4908 28.3101 32.7697 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6555 23.9835 27.0347 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7697 23.6645 22.9094 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2534 25.0488 23.4109 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4766 24.9973 24.9080 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2038 24.3749 25.5813 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5759 23.1538 24.8940 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4091 23.4832 23.4654 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4856 25.4230 22.6894 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7224 24.9887 23.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8792 24.3228 23.9544 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7979 25.4546 22.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6600 26.2982 25.4861 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5685 23.8285 21.5098 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2063 22.8082 25.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6438 23.8587 26.3427 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.19073 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 5.9881 27.7256 28.3007 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5486 27.4163 27.8890 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5520 26.4615 26.6539 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6400 25.2643 27.1078 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1392 25.7299 27.4395 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2621 26.5013 28.6988 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2837 28.6370 27.5421 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3123 29.1390 28.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6302 28.6733 29.2728 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9844 30.3250 27.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9079 26.0686 26.3803 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 24.5282 27.6837 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1353 24.6042 26.6866 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5107 24.2050 26.1133 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7221 24.0334 24.6850 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4834 24.0092 23.7944 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8683 23.6181 22.4030 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1384 24.3802 21.9199 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2715 24.4771 22.9625 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7474 24.9302 24.2131 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5711 22.9561 24.4386 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2523 22.8709 24.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 23.7444 23.7073 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6366 21.5628 24.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7014 23.6844 20.7573 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7827 23.9631 21.5203 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3154 25.5081 22.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3410 24.9460 21.6808 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9755 28.6489 29.4525 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7734 32.0683 30.2215 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1721 31.3159 31.5163 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2152 30.2663 31.1934 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7083 29.4170 29.9758 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0564 30.1805 28.8141 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0426 31.0857 29.3887 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6681 32.2885 32.5097 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2301 32.3452 33.7916 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4033 31.6467 34.1652 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9225 33.3708 34.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4348 29.3514 32.2773 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7815 33.0043 30.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3367 29.2820 27.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7201 28.0742 28.4882 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.17619 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 7.4742 24.7339 26.9969 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2479 25.8294 27.9465 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6011 25.7933 29.3669 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0680 25.9915 29.0817 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4586 24.8185 28.1695 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0414 25.0543 26.8275 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6799 25.5403 28.0741 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6449 26.4912 28.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4044 27.6099 28.0293 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0200 25.9637 28.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1711 26.8498 30.1585 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9635 24.9549 28.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3888 24.1273 29.2125 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2393 26.0249 30.2818 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3805 26.9718 30.9747 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2385 28.3622 30.3624 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4994 29.2572 31.3057 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2422 28.5556 31.9012 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4650 27.0951 32.3458 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1172 26.3619 31.3061 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6834 28.8380 30.1574 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0278 29.7671 29.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3325 30.0440 28.3701 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3548 30.4016 29.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8026 29.2906 33.0926 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0543 30.4160 30.5735 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1425 26.3801 32.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2225 24.9504 32.3041 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0969 24.7431 25.6583 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3225 25.1137 22.6089 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0695 23.8660 23.4926 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9125 23.9529 24.7480 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3913 24.2739 24.3348 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5978 25.3321 23.2417 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7122 24.9860 22.1133 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6303 23.7786 23.8085 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0393 22.6748 24.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 21.7172 24.5176 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5912 22.8506 24.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9429 22.7197 25.4817 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5094 24.9210 21.4567 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0055 25.3629 22.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9756 24.5596 23.5201 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.17443 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 4.0170 28.3490 28.1137 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2862 26.7382 27.9315 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7509 26.5375 27.4298 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8400 27.4653 26.1639 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5866 29.0109 26.5190 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1412 29.0842 26.8375 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1139 26.0010 29.1875 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0962 25.1372 29.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2389 24.9836 28.6783 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1915 24.4142 30.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9463 25.1455 27.1267 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8677 29.8687 25.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 29.5257 24.2844 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1316 27.4255 25.4871 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5130 27.1118 25.8151 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2248 28.0386 26.7963 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6791 27.6941 26.8533 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9040 26.1560 26.9592 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0155 25.3058 26.0275 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6509 25.7155 26.1458 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0059 29.4444 26.2202 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0805 30.5631 26.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0146 30.5306 28.1153 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2708 31.8156 26.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2938 25.8494 26.6023 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2423 28.3057 28.0305 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0411 23.8358 26.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8967 23.5863 27.5807 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 28.5466 28.6128 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3298 29.6137 32.5524 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0896 28.6979 32.3939 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0717 28.1034 31.0009 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2683 29.2616 29.9614 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3288 30.3225 30.2892 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0896 30.7797 31.6716 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1243 27.6497 33.4325 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0148 27.0842 33.9689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0325 27.4296 33.6607 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3076 26.0101 34.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8241 27.4676 30.6857 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2374 30.1347 33.8738 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2459 31.5428 29.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0654 31.5210 28.4737 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.16516 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 6.5181 26.8619 29.1652 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9116 27.4969 30.6289 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5930 27.7572 31.4231 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7283 28.6203 30.4341 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4030 27.8426 29.0672 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7014 27.7897 28.3548 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7637 26.5973 31.4134 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7769 27.0140 32.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0918 28.1189 32.2683 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4298 25.9294 33.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9190 28.4481 32.6413 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4244 28.6339 28.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0469 28.3017 28.7711 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 29.0237 30.9727 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 28.9811 32.2465 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3814 27.6048 32.8030 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4911 27.7543 33.9955 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0073 28.8584 34.9661 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4853 30.1539 34.2780 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3804 29.8378 33.2089 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6548 26.9013 31.6482 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3133 26.8163 31.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3607 26.9927 32.4855 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2049 26.4983 30.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9206 29.2455 35.8727 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4825 26.5040 34.7121 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 31.0313 35.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6082 30.3416 36.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7611 26.5885 28.4171 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1164 24.6811 25.0027 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5785 24.5824 25.1665 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1197 25.5415 26.2453 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0103 25.3239 27.5182 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5186 25.1444 27.2936 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6946 24.1207 26.2456 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 24.8713 23.8710 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7765 24.2942 23.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2506 23.5040 24.1011 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2943 24.7906 22.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7596 25.3167 26.6447 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4419 23.7317 23.9935 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2495 24.6473 28.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2468 23.1485 28.6407 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.15991 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 4.6729 28.5048 29.7646 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7265 27.2188 29.3762 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4126 26.4362 28.2127 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6694 27.5402 27.1235 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6404 28.7057 27.6507 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8223 29.4493 28.6376 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5367 26.3069 30.5090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 25.6203 30.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 25.7730 30.1119 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 24.6631 31.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5217 25.3986 27.7684 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0007 29.6276 26.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7178 29.9244 25.7764 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2880 27.0377 25.9017 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3191 26.0833 25.5274 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9155 24.9550 24.5827 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0290 23.9622 24.4756 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4082 24.6608 24.2818 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6449 25.8889 25.1851 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5197 26.7685 25.1187 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 24.3339 25.2387 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8276 23.5187 24.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8021 23.4708 23.4316 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 22.6898 25.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4772 23.7046 24.5913 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7863 23.1342 23.3213 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8374 26.7075 24.7086 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6603 27.2097 23.3494 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0439 29.2363 30.8821 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3825 30.1265 33.1611 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6765 28.8274 33.6255 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6654 28.3979 32.5828 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7687 29.6325 32.2190 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4778 30.9820 32.0364 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3515 31.1886 33.2075 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6911 27.7819 33.8628 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3970 27.1795 32.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2072 27.4327 31.7738 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4020 26.2015 33.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7849 27.3680 33.0559 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2841 30.4530 34.2131 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5282 32.1540 31.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 31.7437 31.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.15846 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 4.8871 24.6487 28.4296 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8849 25.9076 28.7758 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3777 26.5925 30.0838 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8637 26.8903 29.7837 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0214 25.5525 29.5006 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4991 25.0890 28.1766 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2723 25.4772 28.9776 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3563 26.2130 28.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2557 27.2100 28.0608 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6662 25.6247 29.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1544 27.7811 30.3112 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5559 25.8763 29.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 25.8989 30.8226 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1650 27.5708 30.8685 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0502 28.9192 31.4004 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6540 29.0591 32.8673 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3807 30.4954 33.1826 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4786 31.4335 32.5978 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9145 31.1003 31.1558 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2047 29.7049 31.0431 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3849 28.2062 33.0025 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9202 27.7646 34.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5852 27.7371 35.1265 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5085 27.3426 34.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9687 32.8090 32.5709 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3826 30.6514 34.6153 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2034 31.8214 30.7843 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2931 31.5258 31.7097 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3748 23.9791 27.2076 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8156 23.8344 23.0945 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2272 25.2059 23.6872 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3349 25.0965 25.1941 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0283 24.4217 25.7400 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4836 23.2182 24.9574 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4206 23.6033 23.5344 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5027 25.6339 23.0801 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6915 25.0274 23.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7716 24.1533 24.0549 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8231 25.6029 22.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4431 26.3756 25.8362 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7198 24.0526 21.6911 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0852 22.8238 25.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8507 21.3390 25.3192 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.15795 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 4.7230 27.8726 30.9555 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0960 26.4996 30.3059 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2294 25.7619 29.5257 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7928 26.8654 28.5582 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3993 28.1231 29.3517 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2141 28.8068 29.9208 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5631 25.5943 31.3292 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2404 25.4091 31.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4341 26.0235 31.0237 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9326 24.3520 32.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6555 24.6404 28.8325 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0885 29.0538 28.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4967 28.5322 28.2189 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8642 26.3996 27.6847 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9965 25.6885 26.4233 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3441 25.0365 26.1281 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3671 24.5389 24.7178 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0572 23.7782 24.3530 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7586 24.4543 24.8394 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8771 24.8031 26.2209 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3666 26.1616 26.3402 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5858 25.9544 26.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8317 25.0018 27.4717 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5691 27.0409 26.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9523 23.6781 22.8929 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4666 23.6171 24.5821 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5717 23.5040 24.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9617 22.1634 24.3277 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6638 28.5637 31.7171 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1522 27.4279 35.6644 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1686 28.5466 35.2367 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1962 28.6989 33.7301 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6904 28.8173 33.2677 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7027 27.8678 33.9245 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5093 27.9509 35.3849 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8156 28.2162 35.7257 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0972 29.1460 36.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1582 30.2621 36.0925 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4081 28.5699 36.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5254 29.8855 33.2807 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0676 27.3850 37.0846 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1386 28.2444 33.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0949 27.7243 34.6895 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.13779 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 6.2312 25.6838 26.9238 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9053 24.7217 27.0530 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7856 25.5230 27.7888 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4882 26.0201 29.1042 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7428 26.9767 28.8038 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7724 26.0698 28.2438 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3976 24.2972 25.7443 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8860 23.0670 25.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8904 22.2318 26.2798 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3228 22.9009 24.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6771 24.6414 28.0373 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2572 27.5699 30.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5999 28.9233 30.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6175 26.7832 29.9916 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 26.7165 31.3679 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4522 25.4339 31.8062 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8626 25.6198 33.1681 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8643 26.3107 34.1412 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6337 27.5045 33.5386 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1916 27.1383 32.2742 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3602 25.2159 30.7497 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2476 25.9709 30.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1028 26.6198 31.5622 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 25.9031 29.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1266 26.8322 35.2973 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5487 24.3200 33.7056 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8163 27.9013 34.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0871 27.8220 33.6982 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2870 24.9424 26.2059 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4572 27.6010 26.3240 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5192 27.8497 25.1157 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2384 27.0616 25.2959 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6102 25.5782 25.6452 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7489 25.3615 26.6521 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8910 26.1891 26.2183 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2554 29.2971 24.9959 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4948 30.0155 23.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9624 29.5278 22.9467 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0922 31.4426 23.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4399 27.0217 24.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6284 28.3601 26.0446 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2379 23.9346 26.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6338 23.4923 28.0844 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.13399 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 6.4711 26.0676 29.5165 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8344 27.1701 30.6797 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7967 27.0247 31.8370 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4088 27.1285 31.1062 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1967 25.9586 30.0266 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1340 26.2949 28.9292 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1807 26.9758 31.2277 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2428 27.7679 30.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1735 28.6147 30.1608 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4842 27.4497 31.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0169 28.0813 32.7872 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7896 25.9943 29.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4436 27.4503 29.2844 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2587 27.0498 32.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 27.8289 33.0808 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3633 29.2946 32.7941 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9730 29.9858 34.0618 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9619 29.1400 34.8924 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2971 27.6369 34.9850 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5763 27.1173 33.6827 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6738 29.8607 32.2298 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7213 30.6652 31.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8414 30.7404 30.4118 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9837 31.4450 31.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9325 29.6453 36.2696 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3321 31.2302 33.7187 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1118 26.8342 35.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0521 26.9557 36.9499 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4634 26.1807 28.4293 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0328 24.7071 24.8940 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5088 24.4546 25.0172 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9494 25.2710 26.1637 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8401 25.0265 27.4316 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3613 25.0055 27.2238 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6447 24.0965 26.0965 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8556 24.7943 23.7378 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6924 24.2399 23.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1658 23.4306 23.9313 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2039 24.7866 22.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 24.8895 26.5146 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4577 23.8820 23.8147 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1195 24.4733 28.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5401 24.9623 28.4805 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.12981 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 4.7324 28.4939 29.5880 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8013 27.2076 29.1651 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4989 26.4620 27.9841 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7457 27.5958 26.9236 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7024 28.7585 27.4824 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8738 29.4679 28.4855 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6192 26.2655 30.2742 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4874 25.5479 30.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5469 25.6941 29.8395 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5741 24.5663 31.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6206 25.4261 27.5116 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0550 29.7125 26.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7700 30.0161 25.6388 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3728 27.1311 25.6912 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4200 26.2029 25.2962 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0208 25.0495 24.3804 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1602 24.0893 24.2503 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5103 24.8262 24.0022 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7384 26.0739 24.8806 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5852 26.9180 24.8393 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8212 24.4008 25.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9764 23.5543 24.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9133 23.4927 23.3179 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1636 22.7111 25.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6175 23.9073 24.2894 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9058 23.2378 23.1159 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8893 26.9211 24.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7369 27.4354 25.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0927 29.1901 30.7219 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6061 30.4102 34.6437 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9266 29.9202 33.9972 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7390 29.7818 32.5006 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4370 28.9479 32.2360 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2098 29.2752 33.0988 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6469 29.2901 34.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0087 30.8693 34.3245 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9662 30.6282 35.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9588 29.6657 35.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9806 31.7095 35.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8196 29.0792 31.8693 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8822 30.4817 36.0382 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1129 28.2441 32.9926 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4445 28.2262 31.6456 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.12749 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 3.9098 27.3901 30.7320 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0255 26.7470 29.5053 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7386 25.4487 29.0124 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2079 25.9221 28.7156 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9437 26.4911 30.0249 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2672 27.7811 30.2971 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6621 26.4050 29.9237 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5648 27.1419 29.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6438 28.1478 29.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 26.5371 30.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0535 24.9628 27.8452 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3947 26.7514 29.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1539 25.5187 30.1632 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0793 24.8709 28.2023 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8970 24.6253 27.0253 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3652 25.1328 25.6882 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2189 24.6146 24.5748 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7366 24.7608 24.8954 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1364 24.3642 26.3317 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2673 24.9979 27.2735 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9392 24.5705 25.6068 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6505 23.3799 25.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3867 22.8485 24.3395 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3269 22.8194 25.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5023 23.8910 23.9953 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9396 25.3904 23.3929 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5389 24.8502 26.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3017 23.8622 27.4294 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2286 28.6049 31.2217 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1916 31.3565 30.3372 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9175 31.2483 31.8587 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0610 30.0302 32.1355 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8279 30.0565 31.1662 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0956 30.4444 29.7049 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8905 31.6876 29.7121 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2037 31.1847 32.5801 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7347 32.2269 33.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2148 33.2469 33.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0091 31.9002 33.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5399 30.0114 33.4726 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9748 32.5354 30.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8372 30.7352 28.9241 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6688 29.8500 27.7201 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.10060 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 5.2363 24.8191 28.2645 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5803 25.6954 28.6198 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2993 26.5258 29.9116 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9664 27.2900 29.5789 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7434 26.2899 29.2905 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0679 25.6784 27.9802 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7521 24.8450 28.8528 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8863 24.8918 28.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9746 25.5611 27.1787 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9899 24.0165 28.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4132 27.4049 30.1443 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4616 27.0661 29.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8452 27.1105 30.5447 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5064 28.1745 30.6438 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9181 29.4243 31.2624 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1448 30.6818 30.8764 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8291 31.8883 31.4359 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2466 31.6775 32.9221 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8792 30.3042 33.2288 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0668 29.2600 32.6868 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1682 30.6877 29.3415 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2852 31.3795 28.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2909 31.7617 29.0348 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7152 31.6145 27.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2471 32.6870 33.2864 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 32.9939 31.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9411 30.0432 34.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6426 30.2055 35.3751 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5023 24.0107 27.0582 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7509 23.7440 22.9351 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2032 25.1270 23.4684 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3794 25.0594 24.9712 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0927 24.4152 25.5960 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5004 23.1962 24.8744 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3755 23.5414 23.4452 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4535 25.5231 22.7911 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6686 24.9991 23.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7922 24.2302 23.9263 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7672 25.5144 22.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5300 26.3549 25.5703 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5925 23.9232 21.5319 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1185 22.8295 25.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5557 23.8131 26.3462 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.07979 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 3.9175 27.1516 28.6692 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6184 28.7561 28.8601 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2121 29.0076 30.3464 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0408 27.9876 30.5886 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5073 26.4630 30.3960 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7221 26.3245 28.9363 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7900 29.5805 28.5466 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7328 30.7657 27.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7481 31.1718 27.4547 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0381 31.4834 27.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 30.3799 30.4859 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4072 25.5299 30.8203 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9525 24.7101 31.9674 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4615 28.0540 31.9258 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9067 27.9171 33.3032 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7530 29.1345 34.2102 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4463 28.8861 35.5120 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1234 27.4704 36.0768 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1565 26.3339 35.0339 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3907 26.7031 33.8844 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4197 30.2769 33.4313 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1653 31.5768 33.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2309 31.9129 34.2573 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1935 32.5158 33.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1165 27.1249 37.1001 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9788 29.8602 36.4657 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5071 25.0662 35.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1073 24.1501 34.5087 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3277 26.9086 27.2719 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7189 24.6561 28.0196 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0484 26.0332 27.3898 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8179 26.9156 27.4247 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6082 26.1085 26.8365 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4684 24.6426 27.2713 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7809 23.9948 27.0837 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1766 26.6435 28.1202 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1241 27.4157 27.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1158 27.6052 26.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1238 27.9642 28.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9602 28.0972 26.6225 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9231 23.9045 27.9146 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4755 23.8657 26.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0449 24.1582 26.8017 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.06287 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 8.3711 25.6858 27.6187 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2661 26.8255 28.7978 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2431 26.3326 29.8692 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9582 25.9963 29.0283 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2211 24.8400 27.9452 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0830 25.4803 26.9238 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5554 27.0661 29.4539 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3033 26.0980 30.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9289 25.0144 30.1329 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6332 26.5574 30.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0347 27.3866 30.8249 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9241 24.4294 27.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3517 25.6674 26.6527 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8285 25.5348 29.8275 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6578 26.1065 30.4732 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4886 26.5008 29.5755 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4718 27.2555 30.3714 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1830 26.5674 31.7391 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4348 26.0677 32.4899 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2636 25.3080 31.6067 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1209 27.3869 28.4932 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3123 28.7108 28.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 29.3130 29.4569 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3033 29.3049 27.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5206 27.5283 32.6284 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2414 27.2833 29.6216 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0621 25.1208 33.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 23.9150 33.1433 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3562 26.1324 26.6138 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3016 27.9102 22.9974 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4572 28.8351 23.9102 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4067 28.2589 25.3101 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9967 26.7479 25.2133 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6544 25.9148 24.1039 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5152 26.6651 22.8409 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0407 30.1908 23.9004 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3071 31.3271 23.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1641 31.2896 24.0536 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1262 32.5673 24.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 28.9038 26.1399 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2640 28.5242 21.7138 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9928 24.5751 23.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 23.5212 24.8543 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-6.05821 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 6.6286 28.1617 28.7792 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2411 27.7070 30.2347 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0709 27.6555 31.2668 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4011 29.0719 31.1394 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8237 29.3454 29.6659 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0304 29.5125 28.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8793 26.3877 30.1808 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2197 26.1875 30.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9639 27.0642 30.2636 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6322 24.7533 30.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6199 27.4040 32.5719 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0341 30.6249 29.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6209 30.2668 30.0506 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2774 29.2820 32.0456 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5762 28.5453 33.0847 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7994 27.3037 32.6564 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9793 26.8002 33.8014 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7980 26.7665 35.1266 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6707 28.0130 35.3808 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4409 28.3163 34.2151 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9101 27.7892 31.5033 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6965 27.0671 30.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3854 26.1936 30.0893 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5008 27.4839 29.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 26.6695 36.2599 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5657 25.4524 33.5023 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6829 27.7656 36.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1432 28.0680 37.8137 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7248 28.1880 27.7906 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9252 26.8046 24.3293 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3685 25.6540 25.2681 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7320 26.2175 26.6261 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7184 27.4197 26.4198 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3960 28.4014 25.2841 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1419 27.6070 24.0669 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2814 24.6601 25.3645 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3003 23.4601 24.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1674 23.1677 24.0454 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1188 22.6087 25.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4063 25.2633 27.4597 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6330 26.1753 23.0865 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5345 29.3390 24.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0745 30.6862 24.4792 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.99982 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 4.4708 27.4259 30.0664 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7217 25.9718 29.9090 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6859 25.0001 29.1583 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0741 25.7935 27.8580 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8281 27.1732 28.1853 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7738 28.0430 28.7581 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3757 25.3821 31.2064 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1048 25.1889 31.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1959 25.5562 31.0383 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9955 24.4653 32.9414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9836 23.7752 28.8859 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3398 27.7947 26.9152 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3019 27.5222 25.8506 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9630 25.0648 26.9598 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3517 24.6347 26.9298 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1733 25.0145 25.7014 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4969 24.3192 25.7434 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1513 24.4092 27.1545 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1874 24.1589 28.3328 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0067 24.9496 28.1747 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3275 24.5344 24.5137 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4931 24.9973 23.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0567 25.9785 23.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9077 24.1297 22.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2071 23.3956 27.2583 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3775 24.9678 24.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8022 24.5950 29.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1352 25.1662 29.4888 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5757 28.3437 30.7984 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8212 31.0671 27.7740 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3251 31.7470 29.0723 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8662 30.6960 30.0193 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8027 29.5507 30.1540 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1096 29.0854 28.8654 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6232 30.2877 28.1617 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3521 32.7497 28.7280 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3023 32.5592 27.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3796 31.5683 27.2111 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1860 33.7367 27.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 31.2070 31.3403 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3165 32.1298 26.9728 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9062 28.2100 29.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2505 28.5160 28.2061 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.99753 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 3.8844 27.0115 30.4850 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1328 28.4288 30.8406 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8606 28.4698 32.3773 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1006 27.1222 32.6556 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9854 25.8334 32.2874 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0455 25.8380 30.8067 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9442 29.5945 30.4752 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4950 30.6281 29.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4498 30.6195 29.2398 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4602 31.7581 29.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0731 29.6358 32.6737 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2888 24.5821 32.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8535 24.6912 32.2846 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7034 26.9400 34.0474 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5108 27.1128 34.8611 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5975 26.6897 36.3246 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7617 26.7390 36.9468 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5183 28.0498 36.5769 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4071 28.4659 35.0954 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0395 28.4327 34.6798 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1374 25.2535 36.2749 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3405 24.1685 36.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7517 24.2283 36.6649 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9854 22.9161 35.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9483 27.8716 36.8527 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6041 26.7081 38.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8675 29.9023 34.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3206 30.0337 34.9348 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1689 26.9757 29.0368 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9699 25.2627 25.7270 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8518 24.3700 26.3224 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0402 25.1698 27.3203 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0270 25.8743 28.3156 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2851 26.5174 27.7148 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9197 25.5177 26.8343 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0095 23.8517 25.2267 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5032 22.5942 25.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7433 21.8403 26.0241 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6367 22.3265 24.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1674 24.3484 28.1099 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6803 24.4158 24.8303 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3127 26.9013 28.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9985 28.1978 29.4456 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.99070 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 6.5916 28.0718 28.8389 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3129 27.6664 30.2587 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2026 27.4881 31.3416 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3901 28.8316 31.2648 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7209 29.0604 29.8228 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8647 29.3555 28.9279 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0759 26.4181 30.1572 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4297 26.3471 30.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0854 27.2908 30.2603 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9798 24.9590 30.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 27.2800 32.6169 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8082 30.2547 29.8619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4053 29.7223 30.0454 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2942 28.9195 32.2235 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4179 28.0127 32.9475 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4473 28.0824 34.4715 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6539 26.9516 35.0450 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2872 26.7783 34.3172 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3546 26.8818 32.7793 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0850 28.0507 32.3997 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9348 27.9594 34.8301 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5511 28.7839 35.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0972 29.7997 35.9956 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8367 28.2607 36.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7478 25.4481 34.6213 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3836 27.2462 36.4296 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0323 27.0463 32.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0374 27.4030 33.1689 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6328 28.2171 27.8025 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9253 26.7971 24.3095 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3409 25.6565 25.2730 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6685 26.2350 26.6339 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6623 27.4332 26.4408 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3726 28.4024 25.2857 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1502 27.5946 24.0711 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2498 24.6655 25.3511 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2873 23.4548 24.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1759 23.1498 24.0872 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0955 22.6098 25.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3181 25.2893 27.4962 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6659 26.1541 23.0664 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5211 29.3345 24.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0837 30.7496 24.7254 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.99007 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 7.3829 25.3248 28.2829 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9281 24.6722 27.8855 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8131 25.7104 28.2266 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0916 26.0735 29.7305 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5408 26.7323 29.9426 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4894 25.6142 29.7284 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8400 24.3384 26.4602 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0638 25.2228 25.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2637 26.3367 25.6619 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0327 24.6290 24.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5311 25.0923 28.0213 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6794 27.2289 31.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6621 28.7389 31.2874 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1422 27.0242 30.2984 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5769 27.3382 31.6008 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8684 28.6815 31.7483 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5401 28.9249 33.1871 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9246 27.6616 33.8601 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6310 26.3343 33.5143 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8050 26.2275 32.0993 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8836 29.7074 31.2257 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5754 30.6428 30.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6401 30.5532 29.6414 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5269 31.7877 30.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0051 27.8082 35.3178 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5635 29.9825 33.2547 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7858 25.1335 33.9181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4671 24.2708 32.7844 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4456 24.3592 27.9395 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2281 26.9275 26.2679 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9989 25.6594 25.4069 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7716 24.9235 25.9029 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8903 24.7456 27.4569 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3935 25.9522 28.2621 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6233 26.4419 27.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8626 26.0525 23.9907 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8600 26.8344 23.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0260 27.2062 24.2103 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9714 27.1401 22.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6491 23.6085 25.3409 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4069 27.5247 25.7389 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7608 25.6093 29.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1457 24.3226 30.1626 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.96862 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 8.0570 26.9451 28.7590 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1164 25.7464 28.3831 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7039 25.1390 27.0053 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1878 24.7723 27.2004 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2841 26.0590 27.5274 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6743 26.4436 28.9043 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4961 26.2345 28.2880 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8964 27.2276 27.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1792 27.7081 26.6949 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3236 27.6357 27.6155 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 23.9950 26.7403 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8284 25.6824 27.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 26.6797 28.4029 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5724 24.1474 26.0347 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8270 24.0394 24.6072 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6152 23.8929 23.6916 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0674 23.5863 22.2993 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2468 24.5049 21.8602 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3424 24.7070 22.9274 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7471 25.0625 24.1777 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8228 22.7233 24.2919 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5994 22.8680 24.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1967 23.8983 25.1562 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8269 21.6006 24.9625 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9078 23.9107 20.6928 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9639 23.8242 21.4034 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2641 25.8639 22.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6751 25.4996 22.6522 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4551 27.5426 30.0489 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6992 27.4316 34.1794 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3555 26.1959 33.5130 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5044 26.4398 32.0256 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1274 26.9354 31.4608 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3601 27.9693 32.2973 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3041 27.4679 33.6839 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6586 25.9332 34.1546 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8866 24.8977 34.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0453 24.1791 35.2945 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2938 24.8088 35.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8485 25.2499 31.3006 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5841 27.0907 35.5566 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9334 28.1632 31.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8193 28.9239 30.5528 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.96796 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 8.1218 26.8611 28.7452 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0507 27.3579 30.3100 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5503 27.5408 30.7008 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9883 28.4905 29.5813 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1005 27.8426 28.1161 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5515 27.8586 27.8157 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6615 26.3910 31.2279 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3362 26.7321 32.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5462 27.8296 32.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7682 25.5756 33.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4850 28.1161 32.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 28.7051 27.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9859 28.1436 26.9814 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5819 28.8396 29.7486 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4815 28.4936 30.6339 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1746 27.0103 30.8184 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8988 26.8489 31.5821 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8414 27.7975 32.8168 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3242 29.2383 32.5497 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5860 29.2143 31.8779 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0423 26.4675 29.3886 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 25.3318 28.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5095 24.8584 29.5608 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0598 24.7492 27.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4518 27.9028 33.2758 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8288 25.4921 32.0628 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5631 29.9943 33.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9159 30.5356 33.9385 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5368 26.6608 28.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5353 25.4712 24.4105 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0595 24.3484 25.3668 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7929 24.9295 26.7399 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0359 25.7842 27.1701 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6638 26.6915 26.1023 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8764 25.8745 24.8921 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8545 23.7090 24.8031 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5931 24.1561 25.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3937 25.0538 25.7032 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5507 23.3810 24.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6137 23.9196 27.7438 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7789 24.8197 23.1686 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0120 27.2393 26.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2271 27.2577 27.9901 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.94889 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 5.7763 29.1422 28.4149 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4224 29.4077 29.9024 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3892 28.9453 30.9775 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0732 29.7074 30.5795 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5558 29.3098 29.1121 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5426 29.9253 28.1936 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6735 28.6697 30.1041 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8493 29.2471 30.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9625 30.3882 30.5458 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9599 28.2844 30.7204 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8839 29.3103 32.2774 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2045 29.9191 28.8594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2523 30.5202 27.4733 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9476 29.4569 31.4729 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5642 28.4790 32.4785 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0046 27.1495 31.9810 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4735 26.3606 33.1354 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4596 26.3679 34.3416 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0868 27.7417 34.6574 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6075 28.3276 33.4617 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8821 27.5469 31.0123 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 26.7117 30.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9619 25.7701 29.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 27.1024 29.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7405 25.9511 35.5508 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3056 24.9942 32.7093 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2738 27.6067 35.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 27.3673 36.9819 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7577 29.5530 27.3914 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0085 25.9914 25.2973 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3882 26.4763 25.8103 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1933 27.5969 26.8104 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2257 28.6614 26.1849 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9964 28.1320 25.4324 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4635 27.1025 24.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1131 25.3362 26.4048 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4621 25.2034 26.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1198 25.9717 25.8377 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9609 24.0008 27.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4166 28.2789 27.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3045 24.9662 24.3552 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2937 29.1900 24.6173 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5256 30.1727 25.4576 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.93797 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 4.5921 28.5108 29.5830 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6790 27.2860 28.9777 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5321 26.5092 27.9260 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0293 27.6344 26.9474 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9362 28.7332 27.6886 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9840 29.4832 28.5412 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2478 26.3479 30.0193 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0033 26.3294 30.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2115 27.1176 30.2858 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7585 25.2113 31.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6941 25.5315 27.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5352 29.6729 26.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 31.0131 26.8842 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8385 27.1425 25.8378 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8701 26.1425 25.6141 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0237 25.6040 24.1947 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9734 24.4486 24.1920 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2492 24.7484 25.0347 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9837 25.4379 26.3891 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1171 26.5599 26.2047 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6074 25.1640 23.7985 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 24.7483 22.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9614 24.9736 21.6514 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 23.9707 22.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9310 23.4850 25.3377 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3874 24.2075 22.8328 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2663 26.0007 26.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2635 24.9650 27.2402 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8014 29.2352 30.5976 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 27.4165 34.2913 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6589 28.7894 34.2198 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5915 29.2530 32.7795 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0237 29.1364 32.1502 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8279 27.8688 32.4726 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7882 27.6757 33.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3141 28.6675 34.8158 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6887 29.6737 35.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2043 30.6828 35.6397 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6825 29.3273 35.9331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 30.6264 32.6574 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4057 27.0882 35.6759 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2829 27.9698 32.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8175 26.7123 31.4566 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.92635 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 6.4490 26.0459 29.1136 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5909 27.3322 30.1263 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9496 26.9520 31.4979 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5105 26.4530 31.1091 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5479 25.1696 30.1443 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0377 25.6962 28.8486 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9899 27.7112 30.3499 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5771 28.8079 29.8088 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0260 29.4837 29.0589 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9752 29.0558 30.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9366 28.1187 32.3384 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 24.6242 29.9583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 24.9154 28.5277 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6885 26.0622 32.2491 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5407 26.5761 32.9789 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2594 26.8152 32.1855 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2626 27.5332 33.0386 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1703 26.9125 34.4647 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5283 26.5659 35.1095 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3306 25.8219 34.1893 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7027 27.6793 30.9968 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0928 27.6452 29.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4079 26.7717 29.4897 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3668 28.8268 28.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4841 27.8706 35.3628 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0327 27.4123 32.4186 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3526 25.6659 36.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 24.4986 36.0387 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0763 26.3879 27.8216 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7198 25.1536 24.2288 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5679 24.2313 24.7021 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8192 24.8957 25.8387 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8608 25.3787 26.9075 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1393 26.0491 26.3845 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7030 25.1771 25.3361 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6783 23.9411 23.5605 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9149 24.8769 22.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8939 25.9602 23.3144 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1491 24.3534 21.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9196 23.9999 26.5084 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3670 24.4311 23.1871 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2056 26.2075 27.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8031 25.6490 28.7778 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.90598 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 5.9844 26.7618 27.2944 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7592 26.5915 28.7335 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6964 26.6550 29.8753 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9231 27.9932 29.5885 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1938 27.9839 28.1576 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3025 28.0679 27.1779 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 25.3166 28.8298 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8215 25.2099 28.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5092 26.1316 28.9651 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3160 23.8143 29.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3803 26.6560 31.1402 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3213 29.2004 28.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9872 28.8513 28.6352 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8771 28.2954 30.5593 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 29.0517 31.7930 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4180 28.4916 33.0372 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9964 29.2730 34.2408 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0374 30.8078 33.9757 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4586 31.2457 32.6142 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0155 30.4475 31.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9323 27.0376 33.1169 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7584 26.6855 33.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1884 27.3917 34.3838 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2692 25.3343 33.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2459 31.4928 35.0039 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9165 28.9842 35.3118 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8394 32.6829 32.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6802 33.5009 31.9408 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9794 26.6770 26.2071 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8411 24.8326 22.6807 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4742 23.9963 23.9328 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6340 24.8462 25.1763 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0456 25.5291 25.1359 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5027 26.1103 23.7902 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3005 25.0699 22.7636 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0941 23.4918 23.7922 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5908 22.4633 24.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2424 21.8956 25.2696 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1589 22.1782 24.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5784 24.0750 26.3855 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6823 23.9415 21.5822 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9677 26.4721 23.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2422 27.7807 23.0744 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.90247 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 4.1199 28.6407 30.1280 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4933 27.6377 28.9870 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6630 26.8186 28.3558 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6897 27.9218 27.9089 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2313 28.7908 29.1461 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0699 29.6163 29.5536 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5129 26.7024 29.5479 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1779 26.9384 29.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7267 27.9439 29.2689 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3632 25.7943 30.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1447 26.0489 27.2574 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3418 29.6973 28.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9423 31.1017 29.0836 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8796 27.3947 27.2499 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7853 26.2668 27.3977 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4352 25.7230 26.1287 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1585 24.4505 26.4362 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0092 24.5699 27.7361 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3023 25.2788 28.9100 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7262 26.5085 28.4627 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2594 25.4802 25.1722 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8506 24.2496 24.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5223 23.3237 24.9437 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4716 24.1982 24.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3528 23.2242 28.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0556 24.1659 25.3448 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2899 25.6597 30.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6779 25.5416 29.5681 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0168 29.4010 30.7484 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0213 28.8291 34.7229 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5851 28.3456 34.3985 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3918 28.2978 32.8971 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8621 29.6656 32.2897 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1648 30.2637 32.8398 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0741 30.2510 34.3125 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3665 27.0236 35.0177 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1611 26.5904 35.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 27.2634 35.4124 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1829 25.2017 35.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0178 28.1248 32.5203 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0878 28.8611 36.1444 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3836 31.6991 32.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3892 31.8513 31.3203 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.89890 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 5.0038 30.1979 29.6567 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9335 29.1337 30.4955 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2351 28.8649 29.6763 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7013 28.4461 28.2584 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8417 29.6091 27.5601 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5856 29.6613 28.3447 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3072 29.6452 31.8182 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5028 28.8632 32.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3063 27.7301 32.8869 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9920 29.5924 34.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9830 27.8251 30.3298 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5181 29.2298 26.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8921 27.8548 26.1925 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7512 28.1081 27.3037 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2815 26.9176 26.6588 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0916 25.9573 27.5247 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7279 24.9134 26.6630 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7247 24.3362 25.6200 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8450 25.3898 24.9154 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2578 26.2626 25.8836 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1472 26.8470 28.1958 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7720 26.5091 29.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3552 25.6957 30.0405 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0345 27.2569 29.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4750 23.6474 24.5639 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1582 23.8296 27.5098 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6780 24.7399 24.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7224 23.2822 24.2495 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7820 30.4776 30.4368 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5784 26.6456 31.4368 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9508 27.1366 30.1076 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6549 28.3963 29.6479 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7127 29.4027 30.8498 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0712 28.8267 32.2272 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2080 27.6524 32.4577 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0451 26.0619 29.1002 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1992 25.7075 28.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1766 26.2664 28.6915 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0511 24.5582 27.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9621 29.0605 28.5808 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8349 25.4841 31.7892 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8134 29.7878 33.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3101 29.2847 34.6892 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.85852 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 6.4786 27.6121 27.4461 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7702 26.9159 28.9057 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4003 26.6390 29.6015 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6754 28.0333 29.5619 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4355 28.5559 28.0624 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7888 28.9128 27.5751 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4991 25.6494 28.7811 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7720 25.4585 29.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4041 26.3194 29.6366 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2659 24.0551 29.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6499 26.1681 30.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5785 29.7914 28.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 29.3227 28.1652 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3605 28.0381 30.1934 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8079 28.1200 31.5359 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5966 27.2456 31.8463 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0397 27.6098 33.1858 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1624 27.7626 34.2553 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4104 28.5343 33.7786 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8544 28.0170 32.5219 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6001 27.5616 30.7223 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1059 26.6125 30.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1994 25.5025 30.1132 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3026 27.1205 29.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6307 28.5017 35.4058 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1624 26.5495 33.6136 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5787 28.3483 34.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7951 27.9162 34.0558 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7685 27.8539 26.7698 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9978 28.6764 23.3806 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1227 29.8773 23.8208 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5780 29.6263 25.2117 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9345 28.1961 25.2451 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7056 27.0662 24.5478 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0662 27.5398 23.1976 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9301 31.1117 23.7671 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4234 32.3298 23.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3213 32.4564 23.1705 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4219 33.4289 23.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5479 30.5556 25.5795 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4344 29.0003 22.0652 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8895 25.8097 24.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6895 25.0430 25.6445 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.81397 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 4.8620 27.9521 30.1539 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5751 26.4216 30.6787 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1923 26.4006 31.4030 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3125 27.5526 32.4658 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5570 28.9877 31.7876 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9433 28.9192 31.2686 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5442 25.4536 29.5775 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7109 25.5410 28.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9014 26.3548 28.4378 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9397 24.5078 27.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0021 25.1032 31.9932 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4762 30.0700 32.8284 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0273 30.4949 32.9003 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1306 27.7126 33.3057 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5675 27.1097 34.5031 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3435 27.7851 35.1147 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0320 27.1639 36.4391 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0905 25.6083 36.3749 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2930 25.0370 35.5952 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4073 25.6880 34.3274 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7572 29.2551 35.2706 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1305 30.2533 35.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2456 30.1226 35.1829 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4501 31.5077 35.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1881 25.0758 37.7386 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 27.5413 36.8107 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1019 23.5584 35.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1104 23.2857 33.8502 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1567 27.9755 29.4448 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9682 29.1165 25.6476 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0616 28.0185 25.6220 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2293 27.4359 27.0100 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3959 28.6161 28.0299 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4702 29.8283 27.8535 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5334 30.2351 26.4365 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 26.9833 24.6388 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5848 26.2933 23.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7061 26.5140 23.9641 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9682 25.2623 23.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4001 26.6142 27.1284 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9090 29.6096 24.3137 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8913 31.0252 28.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8970 31.3946 29.7368 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.78341 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 8.1078 24.9875 27.1364 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4189 25.9134 28.4579 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4102 25.5206 29.5827 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0075 25.6490 28.8848 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8528 24.6531 27.6343 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7504 25.2182 26.5994 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7830 25.7220 28.9613 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6724 26.7286 29.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4359 27.8127 28.8484 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9590 26.3100 29.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5781 26.4257 30.6874 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4383 24.6814 27.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5054 24.3907 25.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8784 25.3562 29.7607 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6663 26.0172 30.2170 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7072 27.5369 30.3472 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4625 28.0206 31.0208 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1885 27.3407 30.4359 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3156 25.8214 30.1995 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5210 25.5372 29.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9499 27.8128 31.2051 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5318 29.0245 31.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3302 29.8467 30.5049 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4256 29.2023 32.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0746 27.5239 31.3731 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3496 29.4396 30.7959 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1841 25.2986 29.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 26.0046 29.5585 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0745 25.3346 26.0759 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2150 27.6738 22.8572 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6873 28.5168 24.0457 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5787 27.6444 25.2790 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7969 26.3385 24.8992 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1553 25.6728 23.5629 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1328 26.7197 22.5232 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5913 29.6624 24.2673 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1754 30.8756 24.7074 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0662 31.0872 24.8968 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2802 31.8496 24.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8470 28.2744 26.3409 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2551 28.5739 21.7552 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1665 24.6146 23.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8429 24.7232 23.8442 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.78308 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 6.7907 25.8140 29.1812 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8751 26.9664 30.3497 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6702 26.7698 31.3228 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4212 26.7531 30.3684 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4763 25.5466 29.3097 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5590 25.9275 28.3723 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1202 26.8857 31.1203 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7785 27.9625 31.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4379 29.0383 31.3949 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9593 27.6301 32.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6528 27.8610 32.2592 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 25.4651 28.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2955 24.5009 29.3112 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1455 26.6086 31.0609 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4862 27.1574 32.2349 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9933 26.8821 32.3893 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4452 27.6875 33.5241 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3659 27.6174 34.7790 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8742 27.7528 34.4842 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2464 26.8677 33.4249 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3846 27.3185 31.0493 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3228 26.4884 30.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2677 25.3443 30.3795 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1783 27.1755 29.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0198 28.7151 35.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8387 27.1421 33.8862 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7145 27.3368 35.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 26.7177 36.7364 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9415 25.9767 28.2708 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0332 28.0391 25.2315 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6556 26.7062 24.7440 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0623 25.8684 25.9384 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9083 26.7629 26.9105 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4077 28.1932 27.1580 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1426 28.8066 25.8424 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6812 25.9992 23.8899 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0311 25.1716 22.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1301 25.0067 22.5983 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8724 24.5310 22.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8869 24.7508 25.5765 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 28.7532 24.0427 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4220 29.0692 27.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7970 30.1359 28.7081 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.77414 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 5.9611 27.5537 28.6089 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4919 27.9340 30.1169 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2500 28.1069 31.0469 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3528 29.1444 30.2790 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8909 28.6056 28.8383 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1283 28.6249 28.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3594 26.8936 30.6789 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6759 27.0682 30.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2287 28.0406 30.6882 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3278 25.9074 31.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6975 28.5837 32.3276 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8896 29.5494 28.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5211 29.0348 28.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1223 29.4985 30.9777 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 29.1904 32.2407 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8491 27.8046 32.3851 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0508 27.7375 33.6482 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8233 28.3544 34.8524 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5459 29.6828 34.5464 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3171 29.5551 33.3494 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9514 27.6588 31.1485 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4608 26.4756 30.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9113 25.4757 31.0847 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7052 26.5805 29.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 28.6368 35.9359 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7969 26.3511 33.9488 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5411 30.0392 35.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9648 31.4347 35.5774 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1307 27.3630 27.7285 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3153 25.0053 25.1205 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2320 25.8440 24.3962 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6852 26.8932 25.3418 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2943 26.1944 26.6906 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2729 25.1497 27.2459 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5990 24.2173 26.1497 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8185 26.4539 23.1868 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7390 27.4490 23.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0869 27.9033 24.2079 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2224 27.8563 21.8707 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4983 27.5261 24.8409 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7404 24.0436 24.1611 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6907 24.3214 28.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7355 23.6227 29.1909 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.76885 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 4.3803 26.5426 30.9463 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4524 26.4336 29.5945 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1968 25.5348 28.5576 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6183 26.1967 28.4457 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4071 26.1923 29.8446 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6854 27.1823 30.6783 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1377 25.8448 29.8694 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9715 26.5372 29.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9456 27.6742 29.6643 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2516 25.7041 30.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4634 25.5557 27.3209 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8211 26.6613 29.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7806 27.6913 28.5346 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5066 25.5401 27.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4805 25.1301 26.0981 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8244 24.9579 25.3964 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6067 24.7434 23.9322 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4697 23.7128 23.6629 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2145 23.8884 24.5426 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5932 24.0088 25.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5658 26.2752 25.6638 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4811 27.3436 24.8487 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1016 27.2507 23.7652 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8973 28.6305 25.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0239 23.8441 22.2712 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8236 24.2175 23.3671 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3093 22.6659 24.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8236 22.2538 25.7832 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6716 27.3702 31.9426 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7363 28.3249 35.8600 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2646 28.2991 35.6045 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5299 28.2489 34.1141 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6606 27.1015 33.4909 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2099 26.9797 33.9791 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2335 26.9923 35.4544 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8810 29.4869 36.2273 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5895 29.4490 37.3828 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7146 28.4726 37.9676 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1608 30.7635 37.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8991 27.9496 33.8047 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5992 28.3463 37.2766 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5465 25.6893 33.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3693 24.7213 34.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.75884 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 7.2952 24.2814 26.9254 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8540 25.7938 27.2430 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3184 26.2327 28.6422 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7663 26.0096 28.5321 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3870 24.4738 28.2546 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8196 24.2336 26.8577 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3193 25.8519 27.2607 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1095 24.9451 27.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6695 24.0969 28.5284 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5737 25.1416 27.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6787 27.6074 28.8617 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8979 24.2862 28.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2821 25.1935 27.3053 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0249 26.3856 29.7308 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1588 27.3248 30.8328 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9250 27.5664 31.6974 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1800 28.7020 32.6367 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5761 28.5845 33.3184 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7267 28.1814 32.3730 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3465 27.0411 31.5989 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8168 27.9106 30.6926 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8073 29.0477 29.9714 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 29.9580 30.2668 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9242 29.0103 28.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9422 29.8863 33.8877 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1778 28.6657 33.6717 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9639 27.7570 33.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7102 27.6559 34.5871 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8184 23.8480 25.6147 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9334 24.1963 21.4918 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9155 25.1660 22.1966 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0487 24.7827 23.6559 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6112 24.6220 24.2629 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5690 23.8879 23.4071 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5968 24.4876 22.0591 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2176 25.1273 21.5027 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0228 26.2078 21.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7046 27.2398 21.7324 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3084 25.9050 20.6696 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7199 25.7853 24.4332 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8623 24.6560 20.1466 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1589 24.0390 23.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7159 22.8874 24.7831 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.75457 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 3.7276 27.0588 28.9873 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3312 28.6483 29.1167 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0754 28.9709 30.6226 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0189 27.8918 31.0590 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5750 26.3932 30.9038 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6354 26.1718 29.4397 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3949 29.5280 28.6212 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1740 30.6840 27.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1156 31.0166 27.6427 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4055 31.4723 27.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5849 30.3185 30.7272 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6027 25.4177 31.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0837 25.1399 32.9131 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 28.0082 32.4481 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1379 28.4695 33.7130 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2289 28.3958 34.9363 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8739 29.0976 36.0889 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3763 28.7107 36.2324 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1633 28.6659 34.9062 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4435 27.9007 33.9364 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0584 29.1079 34.4982 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2475 28.9094 35.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4437 27.9918 35.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2556 29.9747 34.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0473 29.7020 37.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1968 28.6985 37.2968 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5019 27.9604 35.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2896 27.9544 33.8488 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9966 26.7511 27.5686 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5385 24.6639 28.0493 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7546 26.0602 27.4127 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4880 26.8803 27.5445 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2803 26.0186 27.0348 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2437 24.5444 27.4624 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5696 23.9639 27.1751 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9008 26.7202 28.0678 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9463 27.2585 27.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0107 27.1909 26.2515 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9482 27.9193 28.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5148 28.0733 26.7471 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7674 23.9736 27.8510 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2333 23.7254 26.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8155 23.9770 27.1308 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.70958 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 1.7788 28.1633 33.0631 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3874 28.4082 32.8335 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6178 28.7971 31.3392 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9091 27.6427 30.5417 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3356 27.5607 30.8528 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2603 27.0493 32.2417 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9129 29.4802 33.6852 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8414 29.2944 34.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2269 28.2472 34.9355 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3117 30.5494 35.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0333 28.8676 31.0956 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6788 26.5717 29.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6044 25.3798 29.8422 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0157 27.7688 29.0923 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8756 27.2799 28.0266 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2348 27.9535 27.8624 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8879 27.4751 26.6048 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7815 25.9283 26.4517 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3985 25.3369 26.7953 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9513 25.8406 28.0564 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9112 29.4522 27.7886 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7763 30.4097 28.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6783 30.1751 28.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4733 31.7663 27.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0541 25.5650 25.0565 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2862 27.8189 26.6631 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4653 23.8240 26.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2217 23.3984 28.3303 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5488 27.8200 34.4804 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2368 25.4646 37.3781 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3777 24.6267 36.2283 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2661 25.5084 35.3755 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4667 26.8036 34.9956 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3666 27.4613 36.1048 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1824 26.4056 36.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1271 23.4916 36.8019 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6843 22.2102 36.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3387 21.9451 36.3413 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6428 21.2372 37.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6521 24.8804 34.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 24.5557 38.0957 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3263 28.5065 35.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5379 28.4366 34.1035 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 1 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.69560 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 6.1542 25.7917 28.9299 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7103 27.3331 29.0538 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7999 28.1055 30.0598 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3487 27.8693 29.5037 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9478 26.3144 29.4805 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7768 25.7357 28.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0946 27.3870 29.5351 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5352 26.7641 30.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8184 26.2063 31.3625 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0076 26.8624 30.8846 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1877 29.4901 30.0609 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4956 26.1619 29.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 25.8084 30.3982 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3018 28.5323 30.2733 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0293 28.8650 31.6623 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7764 30.3334 31.9913 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7249 30.5178 33.4747 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8555 29.4229 34.1624 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0854 27.9899 33.6390 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0345 27.9773 32.2103 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9732 31.0732 31.3776 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8401 32.0532 30.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8657 32.1969 29.8668 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0387 32.9254 30.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1646 29.3965 35.5965 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1232 31.7981 33.7499 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9823 27.0464 34.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4986 26.1877 33.0228 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0254 25.0466 27.9997 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4589 24.2746 24.1942 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9480 25.6373 24.7471 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6493 25.7208 26.2296 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1474 25.3305 26.4589 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6102 24.1262 25.6723 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9799 24.3175 24.2567 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3912 25.7822 24.4737 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9432 26.8830 23.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2928 27.7622 23.5668 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4235 26.8162 23.7875 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8209 27.0451 26.7558 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7623 24.3101 22.8039 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1066 24.0053 25.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6005 23.3855 26.9918 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 6 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 1 0 0 0 16 17 1 0 0 0 0 17 26 1 6 0 0 0 17 18 1 0 0 0 0 18 25 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 1 0 0 0 31 32 1 0 0 0 0 32 40 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.67465 $$$$ OpenBabel11041414293D 43 45 0 0 0 0 0 0 0 0999 V2000 5.8980 26.7202 27.7680 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0968 28.1568 28.5407 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7732 27.9507 30.0540 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3462 27.2915 30.0420 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3312 25.8787 29.2785 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5062 26.2296 27.8494 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4655 28.6687 28.4176 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7911 29.8285 27.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0062 30.4602 27.2387 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2323 30.2054 27.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8003 29.2309 30.7083 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9968 25.2095 29.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1016 24.3633 30.7073 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8030 27.0253 31.3694 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2408 27.7808 32.4772 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7927 27.4872 32.8583 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3209 28.4895 33.8632 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3733 28.7169 34.9893 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8302 28.8452 34.4981 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1404 27.7740 33.6035 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0184 27.6119 31.5388 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2369 26.6300 31.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 25.5429 31.4201 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7471 27.0768 30.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 29.9659 35.6927 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1191 27.9829 34.4763 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8181 28.7200 35.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8227 27.6878 35.4125 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2271 26.9001 26.3401 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9766 24.4377 23.0224 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9105 23.6475 24.3539 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7003 24.6087 25.5054 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7532 25.7657 25.3884 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0015 26.3459 23.9886 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2370 25.2137 23.0721 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8258 22.6498 24.2729 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6328 22.7817 24.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4179 23.6804 25.5799 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6815 21.6747 24.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8995 23.9917 26.7859 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1988 23.4527 22.0192 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2238 27.2281 23.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9187 27.3882 25.2401 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 14 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 18 1 0 0 0 0 18 25 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 27 28 1 0 0 0 0 30 41 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 32 1 0 0 0 0 32 40 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 42 43 1 0 0 0 0 M END >
-5.66260 $$$$
HETATM 1 C1 NAG A 201 5.991 25.237 25.980 1.00 32.10 C HETATM 2 O1 NAG A 201 6.692 24.491 24.991 1.00 46.64 O HETATM 3 C2 NAG A 201 4.850 24.302 26.455 1.00 29.05 C HETATM 4 N2 NAG A 201 4.007 23.939 25.299 1.00 30.31 N HETATM 5 C3 NAG A 201 4.046 24.991 27.538 1.00 14.31 C HETATM 6 O3 NAG A 201 3.150 24.098 28.216 1.00 28.14 O HETATM 7 C4 NAG A 201 5.038 25.548 28.618 1.00 41.63 C HETATM 8 O4 NAG A 201 4.196 26.571 29.463 1.00 46.30 O HETATM 9 C5 NAG A 201 6.314 26.233 28.108 1.00 38.82 C HETATM 10 O5 NAG A 201 6.936 25.335 27.116 1.00 32.95 O HETATM 11 C6 NAG A 201 7.340 26.466 29.190 1.00 50.43 C HETATM 12 O6 NAG A 201 7.944 25.194 29.718 1.00 38.95 O HETATM 13 C7 NAG A 201 3.635 22.668 25.008 1.00 19.61 C HETATM 14 O7 NAG A 201 3.999 21.786 25.641 1.00 24.37 O HETATM 15 C8 NAG A 201 2.737 22.563 23.828 1.00 14.43 C HETATM 16 C1 NAG A 202 3.885 26.427 30.899 1.00 24.54 C HETATM 17 C2 NAG A 202 3.803 27.923 31.574 1.00 38.18 C HETATM 18 N2 NAG A 202 5.055 28.671 31.420 1.00 47.13 N HETATM 19 C3 NAG A 202 3.501 27.760 33.097 1.00 40.28 C HETATM 20 O3 NAG A 202 3.281 29.063 33.664 1.00 44.52 O HETATM 21 C4 NAG A 202 2.221 26.848 33.126 1.00 31.56 C HETATM 22 O4 NAG A 202 1.717 26.573 34.467 1.00 37.56 O HETATM 23 C5 NAG A 202 2.479 25.410 32.459 1.00 25.00 C HETATM 24 O5 NAG A 202 2.607 25.693 31.010 1.00 56.77 O HETATM 25 C6 NAG A 202 1.289 24.518 32.681 1.00 41.21 C HETATM 26 O6 NAG A 202 0.147 25.114 31.890 1.00 29.51 O HETATM 27 C7 NAG A 202 5.120 29.996 31.136 1.00 36.27 C HETATM 28 O7 NAG A 202 4.177 30.616 30.914 1.00 77.29 O HETATM 29 C8 NAG A 202 6.500 30.566 31.143 1.00 25.48 C HETATM 30 C1 NAG A 203 0.550 26.901 35.270 1.00 31.25 C HETATM 31 C2 NAG A 203 0.590 26.520 36.747 1.00 50.86 C HETATM 32 N2 NAG A 203 0.971 25.033 36.747 1.00 55.71 N HETATM 33 C3 NAG A 203 -0.756 26.737 37.362 1.00 27.28 C HETATM 34 O3 NAG A 203 -0.603 26.737 38.795 1.00 49.98 O HETATM 35 C4 NAG A 203 -1.366 28.109 36.946 1.00 62.31 C HETATM 36 O4 NAG A 203 -2.807 28.096 37.222 1.00 75.30 O HETATM 37 C5 NAG A 203 -1.210 28.461 35.452 1.00 37.66 C HETATM 38 O5 NAG A 203 0.146 28.266 35.043 1.00 55.96 O HETATM 39 C6 NAG A 203 -1.512 29.931 35.193 1.00 49.19 C HETATM 40 O6 NAG A 203 -0.695 30.486 34.118 1.00 68.92 O HETATM 41 C7 NAG A 203 2.074 24.558 37.356 1.00 64.76 C HETATM 42 O7 NAG A 203 2.947 25.248 37.653 1.00 66.12 O HETATM 43 C8 NAG A 203 2.050 23.092 37.620 1.00 56.03 C CONECT 1 2 3 10 CONECT 2 1 CONECT 3 1 4 5 CONECT 4 3 13 CONECT 5 3 6 7 CONECT 6 5 CONECT 7 5 8 9 CONECT 8 7 16 CONECT 9 7 10 11 CONECT 10 1 9 CONECT 11 9 12 CONECT 12 11 CONECT 13 4 CONECT 13 14 CONECT 13 14 CONECT 13 15 CONECT 14 13 CONECT 14 13 CONECT 15 13 CONECT 16 8 17 24 CONECT 17 16 18 19 CONECT 18 17 27 CONECT 19 17 20 21 CONECT 20 19 CONECT 21 19 22 23 CONECT 22 21 30 CONECT 23 21 24 25 CONECT 24 16 23 CONECT 25 23 26 CONECT 26 25 CONECT 27 18 CONECT 27 28 CONECT 27 28 CONECT 27 29 CONECT 28 27 CONECT 28 27 CONECT 29 27 CONECT 30 22 31 38 CONECT 31 30 32 33 CONECT 32 31 41 CONECT 33 31 34 35 CONECT 34 33 CONECT 35 33 36 37 CONECT 36 35 CONECT 37 35 38 39 CONECT 38 30 37 CONECT 39 37 40 CONECT 40 39 CONECT 41 32 CONECT 41 42 CONECT 41 42 CONECT 41 43 CONECT 42 41 CONECT 42 41 CONECT 43 41 END
ATOM 1 N LYS A 1 3.398 9.981 10.408 1.00 30.48 N ATOM 2 CA LYS A 1 2.459 10.365 9.364 1.00 28.03 C ATOM 3 C LYS A 1 2.458 11.880 9.149 1.00 21.93 C ATOM 4 O LYS A 1 2.481 12.672 10.100 1.00 14.10 O ATOM 5 CB LYS A 1 1.026 9.935 9.695 1.00 30.54 C ATOM 6 CG LYS A 1 0.028 10.169 8.558 1.00 37.93 C ATOM 7 CD LYS A 1 -1.415 10.089 9.048 1.00 33.23 C ATOM 8 CE LYS A 1 -2.357 10.822 8.082 1.00 32.17 C ATOM 9 NZ LYS A 1 -3.661 10.090 8.025 1.00 31.92 N1+ ATOM 10 N VAL A 2 2.429 12.232 7.880 1.00 17.30 N ATOM 11 CA VAL A 2 2.395 13.653 7.465 1.00 14.47 C ATOM 12 C VAL A 2 0.977 13.868 6.903 1.00 17.58 C ATOM 13 O VAL A 2 0.642 13.368 5.826 1.00 32.65 O ATOM 14 CB VAL A 2 3.533 14.012 6.536 1.00 22.88 C ATOM 15 CG1 VAL A 2 3.463 15.446 6.029 1.00 17.60 C ATOM 16 CG2 VAL A 2 4.896 13.752 7.185 1.00 25.10 C ATOM 17 N PHE A 3 0.202 14.602 7.679 1.00 24.88 N ATOM 18 CA PHE A 3 -1.182 14.930 7.362 1.00 25.54 C ATOM 19 C PHE A 3 -1.323 16.027 6.307 1.00 44.91 C ATOM 20 O PHE A 3 -0.451 16.906 6.207 1.00 27.79 O ATOM 21 CB PHE A 3 -1.912 15.431 8.640 1.00 24.13 C ATOM 22 CG PHE A 3 -2.504 14.407 9.541 1.00 18.68 C ATOM 23 CD1 PHE A 3 -1.727 13.761 10.505 1.00 18.71 C ATOM 24 CD2 PHE A 3 -3.860 14.088 9.439 1.00 19.15 C ATOM 25 CE1 PHE A 3 -2.303 12.797 11.353 1.00 26.64 C ATOM 26 CE2 PHE A 3 -4.441 13.143 10.262 1.00 22.36 C ATOM 27 CZ PHE A 3 -3.659 12.495 11.226 1.00 17.81 C ATOM 28 N GLY A 4 -2.430 15.953 5.586 1.00 17.72 N ATOM 29 CA GLY A 4 -2.751 16.990 4.552 1.00 31.68 C ATOM 30 C GLY A 4 -3.547 18.053 5.370 1.00 17.02 C ATOM 31 O GLY A 4 -4.114 17.681 6.421 1.00 17.27 O ATOM 32 N ARG A 5 -3.566 19.276 4.911 1.00 23.79 N ATOM 33 CA ARG A 5 -4.263 20.383 5.589 1.00 19.38 C ATOM 34 C ARG A 5 -5.696 20.017 5.939 1.00 29.92 C ATOM 35 O ARG A 5 -6.048 19.981 7.141 1.00 28.65 O ATOM 36 CB ARG A 5 -4.202 21.690 4.772 1.00 15.01 C ATOM 37 CG ARG A 5 -4.673 22.912 5.555 1.00 7.22 C ATOM 38 CD ARG A 5 -4.468 24.256 4.862 1.00 32.04 C ATOM 39 NE ARG A 5 -4.855 24.191 3.491 1.00 39.10 N ATOM 40 CZ ARG A 5 -6.080 24.419 3.022 1.00 21.11 C ATOM 41 NH1 ARG A 5 -7.143 24.794 3.846 1.00 36.18 N1+ ATOM 42 NH2 ARG A 5 -6.355 24.278 1.759 1.00 47.30 N ATOM 43 N CYS A 6 -6.494 19.744 4.929 1.00 31.37 N ATOM 44 CA CYS A 6 -7.927 19.378 5.088 1.00 32.81 C ATOM 45 C CYS A 6 -8.096 18.138 5.922 1.00 19.65 C ATOM 46 O CYS A 6 -8.951 18.087 6.840 1.00 24.72 O ATOM 47 CB CYS A 6 -8.579 19.336 3.697 1.00 25.91 C ATOM 48 SG CYS A 6 -8.763 21.096 3.142 1.00 29.62 S ATOM 49 N GLU A 7 -7.275 17.144 5.630 1.00 19.41 N ATOM 50 CA GLU A 7 -7.285 15.889 6.363 1.00 27.46 C ATOM 51 C GLU A 7 -7.215 16.114 7.871 1.00 28.60 C ATOM 52 O GLU A 7 -8.012 15.554 8.648 1.00 20.67 O ATOM 53 CB GLU A 7 -6.066 15.041 5.997 1.00 16.86 C ATOM 54 CG GLU A 7 -6.092 13.584 6.483 1.00 32.99 C ATOM 55 CD GLU A 7 -4.912 12.777 5.999 1.00 31.30 C ATOM 56 OE1 GLU A 7 -3.945 13.298 5.403 1.00 36.16 O ATOM 57 OE2 GLU A 7 -5.039 11.570 6.267 1.00 35.15 O1- ATOM 58 N LEU A 8 -6.242 16.934 8.265 1.00 20.93 N ATOM 59 CA LEU A 8 -6.013 17.248 9.682 1.00 18.37 C ATOM 60 C LEU A 8 -7.184 17.999 10.289 1.00 12.20 C ATOM 61 O LEU A 8 -7.616 17.691 11.414 1.00 20.78 O ATOM 62 CB LEU A 8 -4.660 17.985 9.810 1.00 18.37 C ATOM 63 CG LEU A 8 -4.268 18.305 11.264 1.00 20.77 C ATOM 64 CD1 LEU A 8 -3.830 17.042 12.004 1.00 18.41 C ATOM 65 CD2 LEU A 8 -3.155 19.339 11.230 1.00 20.24 C ATOM 66 N ALA A 9 -7.660 18.968 9.529 1.00 17.56 N ATOM 67 CA ALA A 9 -8.796 19.804 9.923 1.00 18.32 C ATOM 68 C ALA A 9 -9.964 18.897 10.316 1.00 13.30 C ATOM 69 O ALA A 9 -10.573 19.060 11.379 1.00 23.27 O ATOM 70 CB ALA A 9 -9.180 20.746 8.795 1.00 13.96 C ATOM 71 N ALA A 10 -10.228 17.946 9.435 1.00 16.02 N ATOM 72 CA ALA A 10 -11.317 16.976 9.620 1.00 26.28 C ATOM 73 C ALA A 10 -11.109 16.094 10.836 1.00 18.11 C ATOM 74 O ALA A 10 -12.067 15.806 11.580 1.00 19.85 O ATOM 75 CB ALA A 10 -11.470 16.138 8.347 1.00 36.67 C ATOM 76 N ALA A 11 -9.863 15.675 11.030 1.00 18.46 N ATOM 77 CA ALA A 11 -9.506 14.804 12.157 1.00 18.53 C ATOM 78 C ALA A 11 -9.631 15.520 13.489 1.00 30.31 C ATOM 79 O ALA A 11 -10.005 14.871 14.489 1.00 27.18 O ATOM 80 CB ALA A 11 -8.095 14.238 11.970 1.00 27.90 C ATOM 81 N MET A 12 -9.311 16.812 13.470 1.00 31.55 N ATOM 82 CA MET A 12 -9.395 17.605 14.721 1.00 21.54 C ATOM 83 C MET A 12 -10.870 17.885 15.000 1.00 24.05 C ATOM 84 O MET A 12 -11.287 17.772 16.171 1.00 31.91 O ATOM 85 CB MET A 12 -8.543 18.869 14.648 1.00 17.89 C ATOM 86 CG MET A 12 -7.064 18.516 14.692 1.00 22.50 C ATOM 87 SD MET A 12 -6.103 20.049 14.352 1.00 29.85 S ATOM 88 CE MET A 12 -4.578 19.646 15.242 1.00 17.96 C ATOM 89 N LYS A 13 -11.596 18.234 13.953 1.00 18.15 N ATOM 90 CA LYS A 13 -13.023 18.542 14.069 1.00127.09 C ATOM 91 C LYS A 13 -13.771 17.375 14.721 1.00 18.36 C ATOM 92 O LYS A 13 -14.599 17.649 15.599 1.00 27.01 O ATOM 93 CB LYS A 13 -13.711 18.857 12.747 1.00 21.82 C ATOM 94 CG LYS A 13 -15.156 19.324 12.916 1.00 31.61 C ATOM 95 CD LYS A 13 -15.645 20.170 11.740 1.00 48.39 C ATOM 96 CE LYS A 13 -17.165 20.161 11.585 1.00 40.36 C ATOM 97 NZ LYS A 13 -17.710 21.469 11.195 1.00 48.69 N1+ ATOM 98 N ARG A 14 -13.457 16.179 14.269 1.00 17.18 N ATOM 99 CA ARG A 14 -14.162 14.979 14.828 1.00 20.10 C ATOM 100 C ARG A 14 -13.731 14.685 16.243 1.00 18.01 C ATOM 101 O ARG A 14 -14.455 13.958 16.968 1.00 24.19 O ATOM 102 CB ARG A 14 -14.020 13.803 13.875 1.00 29.88 C ATOM 103 CG ARG A 14 -12.839 12.901 13.954 1.00 36.71 C ATOM 104 CD ARG A 14 -12.910 11.727 13.024 1.00 44.24 C ATOM 105 NE ARG A 14 -12.172 10.587 13.581 1.00 37.13 N ATOM 106 CZ ARG A 14 -12.701 9.693 14.416 1.00 52.70 C ATOM 107 NH1 ARG A 14 -13.949 9.785 14.880 1.00 46.44 N1+ ATOM 108 NH2 ARG A 14 -11.941 8.663 14.802 1.00 55.01 N ATOM 109 N HIS A 15 -12.587 15.240 16.630 1.00 26.83 N ATOM 110 CA HIS A 15 -12.049 15.016 17.991 1.00 28.16 C ATOM 111 C HIS A 15 -12.395 16.120 18.963 1.00 30.65 C ATOM 112 O HIS A 15 -11.824 16.172 20.073 1.00 27.86 O ATOM 113 CB HIS A 15 -10.535 14.718 17.967 1.00 19.64 C ATOM 114 CG HIS A 15 -10.263 13.295 17.556 1.00 23.18 C ATOM 115 CD2 HIS A 15 -10.347 12.158 18.283 1.00 21.10 C ATOM 116 ND1 HIS A 15 -9.862 12.914 16.302 1.00 27.92 N ATOM 117 CE1 HIS A 15 -9.706 11.596 16.269 1.00 39.77 C ATOM 118 NE2 HIS A 15 -9.998 11.124 17.457 1.00 35.82 N ATOM 119 N GLY A 16 -13.328 16.985 18.604 1.00 27.63 N ATOM 120 CA GLY A 16 -13.831 18.068 19.378 1.00 23.39 C ATOM 121 C GLY A 16 -13.128 19.362 19.522 1.00 16.87 C ATOM 122 O GLY A 16 -13.458 20.123 20.485 1.00 27.47 O ATOM 123 N LEU A 17 -12.201 19.696 18.642 1.00 37.14 N ATOM 124 CA LEU A 17 -11.434 20.948 18.708 1.00 14.44 C ATOM 125 C LEU A 17 -12.055 22.161 18.086 1.00 32.89 C ATOM 126 O LEU A 17 -11.646 23.281 18.560 1.00 27.57 O ATOM 127 CB LEU A 17 -10.024 20.584 18.176 1.00 21.97 C ATOM 128 CG LEU A 17 -8.872 20.544 19.155 1.00 24.88 C ATOM 129 CD1 LEU A 17 -9.190 19.926 20.511 1.00 17.30 C ATOM 130 CD2 LEU A 17 -7.752 19.706 18.493 1.00 41.85 C ATOM 131 N ASP A 18 -12.959 22.067 17.140 1.00 31.38 N ATOM 132 CA ASP A 18 -13.582 23.272 16.546 1.00 21.13 C ATOM 133 C ASP A 18 -14.301 23.810 17.798 1.00 20.63 C ATOM 134 O ASP A 18 -15.147 23.027 18.369 1.00 51.29 O ATOM 135 CB ASP A 18 -14.452 22.997 15.329 1.00 27.25 C ATOM 136 CG ASP A 18 -14.850 24.264 14.578 1.00 55.72 C ATOM 137 OD1 ASP A 18 -14.376 25.407 14.944 1.00 33.04 O ATOM 138 OD2 ASP A 18 -15.661 24.193 13.577 1.00 56.39 O1- ATOM 139 N ASN A 19 -13.803 25.054 18.137 1.00 24.88 N ATOM 140 CA ASN A 19 -14.272 25.952 19.168 1.00 27.40 C ATOM 141 C ASN A 19 -14.105 25.411 20.624 1.00 18.01 C ATOM 142 O ASN A 19 -14.851 25.794 21.537 1.00 24.33 O ATOM 143 CB ASN A 19 -15.686 26.289 18.885 1.00 22.33 C ATOM 144 CG ASN A 19 -15.631 27.246 17.681 1.00 25.42 C ATOM 145 ND2 ASN A 19 -16.691 27.965 17.361 1.00 59.81 N ATOM 146 OD1 ASN A 19 -14.600 27.341 17.017 1.00 35.56 O ATOM 147 N TYR A 20 -13.118 24.522 20.844 1.00 22.00 N ATOM 148 CA TYR A 20 -12.849 24.016 22.223 1.00 18.92 C ATOM 149 C TYR A 20 -12.197 25.178 22.995 1.00 42.49 C ATOM 150 O TYR A 20 -11.094 25.632 22.656 1.00 30.71 O ATOM 151 CB TYR A 20 -11.902 22.771 22.218 1.00 17.78 C ATOM 152 CG TYR A 20 -11.730 22.105 23.637 1.00 23.82 C ATOM 153 CD1 TYR A 20 -10.726 22.518 24.508 1.00 25.44 C ATOM 154 CD2 TYR A 20 -12.580 21.063 24.072 1.00 21.69 C ATOM 155 CE1 TYR A 20 -10.575 21.951 25.769 1.00 24.30 C ATOM 156 CE2 TYR A 20 -12.424 20.495 25.336 1.00 25.56 C ATOM 157 CZ TYR A 20 -11.422 20.946 26.182 1.00 25.28 C ATOM 158 OH TYR A 20 -11.276 20.398 27.418 1.00 35.49 O ATOM 159 N ARG A 21 -12.914 25.610 24.002 1.00 21.19 N ATOM 160 CA ARG A 21 -12.522 26.730 24.885 1.00 13.01 C ATOM 161 C ARG A 21 -12.444 28.038 24.102 1.00 18.13 C ATOM 162 O ARG A 21 -11.603 28.931 24.380 1.00 30.30 O ATOM 163 CB ARG A 21 -11.159 26.502 25.566 1.00 21.94 C ATOM 164 CG ARG A 21 -11.203 25.441 26.689 1.00 39.03 C ATOM 165 CD ARG A 21 -11.540 25.954 28.071 1.00 43.17 C ATOM 166 NE ARG A 21 -11.271 24.928 29.097 1.00 46.07 N ATOM 167 CZ ARG A 21 -12.052 24.684 30.153 1.00 69.47 C ATOM 168 NH1 ARG A 21 -13.176 25.385 30.358 1.00 78.93 N1+ ATOM 169 NH2 ARG A 21 -11.795 23.745 31.074 1.00 47.31 N ATOM 170 N GLY A 22 -13.302 28.174 23.110 1.00 35.06 N ATOM 171 CA GLY A 22 -13.410 29.317 22.239 1.00 17.30 C ATOM 172 C GLY A 22 -12.422 29.462 21.122 1.00 17.96 C ATOM 173 O GLY A 22 -12.410 30.542 20.472 1.00 20.91 O ATOM 174 N TYR A 23 -11.601 28.473 20.841 1.00 17.10 N ATOM 175 CA TYR A 23 -10.603 28.509 19.769 1.00 25.24 C ATOM 176 C TYR A 23 -11.100 27.804 18.506 1.00150.80 C ATOM 177 O TYR A 23 -11.295 26.588 18.499 1.00 17.84 O ATOM 178 CB TYR A 23 -9.269 27.884 20.235 1.00 17.90 C ATOM 179 CG TYR A 23 -8.543 28.724 21.266 1.00 9.30 C ATOM 180 CD1 TYR A 23 -7.725 29.793 20.890 1.00 11.51 C ATOM 181 CD2 TYR A 23 -8.682 28.442 22.624 1.00 27.56 C ATOM 182 CE1 TYR A 23 -7.065 30.564 21.844 1.00 20.21 C ATOM 183 CE2 TYR A 23 -8.023 29.201 23.588 1.00 20.14 C ATOM 184 CZ TYR A 23 -7.219 30.260 23.197 1.00 28.26 C ATOM 185 OH TYR A 23 -6.587 30.977 24.183 1.00 18.35 O ATOM 186 N SER A 24 -11.283 28.585 17.461 1.00 24.79 N ATOM 187 CA SER A 24 -11.757 28.099 16.150 1.00 20.22 C ATOM 188 C SER A 24 -10.750 27.119 15.543 1.00 20.78 C ATOM 189 O SER A 24 -9.546 27.166 15.832 1.00 17.54 O ATOM 190 CB SER A 24 -12.026 29.263 15.213 1.00 43.96 C ATOM 191 OG SER A 24 -10.826 29.919 14.829 1.00 27.73 O ATOM 192 N LEU A 25 -11.264 26.238 14.690 1.00 22.79 N ATOM 193 CA LEU A 25 -10.514 25.211 14.000 1.00 16.06 C ATOM 194 C LEU A 25 -9.248 25.717 13.310 1.00 13.32 C ATOM 195 O LEU A 25 -8.223 25.012 13.306 1.00 11.01 O ATOM 196 CB LEU A 25 -11.407 24.495 12.955 1.00 22.93 C ATOM 197 CG LEU A 25 -11.424 22.987 12.915 1.00 31.28 C ATOM 198 CD1 LEU A 25 -12.227 22.493 11.690 1.00 24.34 C ATOM 199 CD2 LEU A 25 -10.016 22.407 12.845 1.00 33.61 C ATOM 200 N GLY A 26 -9.360 26.902 12.732 1.00 17.82 N ATOM 201 CA GLY A 26 -8.233 27.525 12.032 1.00 20.20 C ATOM 202 C GLY A 26 -7.042 27.685 12.966 1.00 12.49 C ATOM 203 O GLY A 26 -5.894 27.551 12.502 1.00 21.63 O ATOM 204 N ASN A 27 -7.290 27.967 14.234 1.00 11.91 N ATOM 205 CA ASN A 27 -6.248 28.148 15.252 1.00 18.61 C ATOM 206 C ASN A 27 -5.381 26.889 15.427 1.00 7.63 C ATOM 207 O ASN A 27 -4.145 26.962 15.388 1.00 18.08 O ATOM 208 CB ASN A 27 -6.842 28.585 16.616 1.00 30.68 C ATOM 209 CG ASN A 27 -7.205 30.062 16.574 1.00 15.10 C ATOM 210 ND2 ASN A 27 -8.512 30.328 16.590 1.00 25.27 N ATOM 211 OD1 ASN A 27 -6.326 30.918 16.517 1.00 17.09 O ATOM 212 N TRP A 28 -6.040 25.771 15.621 1.00 18.41 N ATOM 213 CA TRP A 28 -5.438 24.457 15.817 1.00 20.31 C ATOM 214 C TRP A 28 -4.647 23.992 14.607 1.00 15.94 C ATOM 215 O TRP A 28 -3.528 23.467 14.769 1.00 16.27 O ATOM 216 CB TRP A 28 -6.531 23.402 16.196 1.00 16.00 C ATOM 217 CG TRP A 28 -7.210 23.772 17.474 1.00 15.93 C ATOM 218 CD1 TRP A 28 -8.449 24.336 17.632 1.00 11.52 C ATOM 219 CD2 TRP A 28 -6.664 23.615 18.793 1.00 20.92 C ATOM 220 CE2 TRP A 28 -7.626 24.099 19.702 1.00 14.35 C ATOM 221 CE3 TRP A 28 -5.458 23.100 19.274 1.00 13.05 C ATOM 222 NE1 TRP A 28 -8.698 24.533 18.974 1.00 24.17 N ATOM 223 CZ2 TRP A 28 -7.416 24.089 21.073 1.00 12.68 C ATOM 224 CZ3 TRP A 28 -5.248 23.093 20.634 1.00 15.34 C ATOM 225 CH2 TRP A 28 -6.206 23.578 21.521 1.00 14.37 C ATOM 226 N VAL A 29 -5.220 24.175 13.432 1.00 12.31 N ATOM 227 CA VAL A 29 -4.550 23.757 12.174 1.00 18.06 C ATOM 228 C VAL A 29 -3.291 24.587 11.975 1.00 16.99 C ATOM 229 O VAL A 29 -2.215 24.068 11.637 1.00 18.28 O ATOM 230 CB VAL A 29 -5.553 23.795 11.004 1.00 14.78 C ATOM 231 CG1 VAL A 29 -4.927 23.574 9.645 1.00 17.35 C ATOM 232 CG2 VAL A 29 -6.684 22.783 11.208 1.00 13.42 C ATOM 233 N CYS A 30 -3.435 25.877 12.197 1.00 10.19 N ATOM 234 CA CYS A 30 -2.341 26.836 12.062 1.00 17.64 C ATOM 235 C CYS A 30 -1.221 26.491 13.042 1.00 21.81 C ATOM 236 O CYS A 30 -0.044 26.499 12.661 1.00 14.08 O ATOM 237 CB CYS A 30 -2.870 28.256 12.262 1.00 10.62 C ATOM 238 SG CYS A 30 -1.542 29.505 12.045 1.00 19.07 S ATOM 239 N ALA A 31 -1.615 26.199 14.277 1.00 19.96 N ATOM 240 CA ALA A 31 -0.652 25.831 15.332 1.00 8.43 C ATOM 241 C ALA A 31 0.115 24.567 14.913 1.00 13.53 C ATOM 242 O ALA A 31 1.350 24.566 15.016 1.00 13.80 O ATOM 243 CB ALA A 31 -1.345 25.629 16.657 1.00 9.87 C ATOM 244 N ALA A 32 -0.591 23.543 14.456 1.00 17.96 N ATOM 245 CA ALA A 32 0.023 22.275 14.023 1.00 15.96 C ATOM 246 C ALA A 32 1.003 22.492 12.871 1.00 22.53 C ATOM 247 O ALA A 32 2.105 21.905 12.831 1.00 20.61 O ATOM 248 CB ALA A 32 -1.025 21.243 13.631 1.00 20.40 C ATOM 249 N LYS A 33 0.605 23.332 11.939 1.00 15.87 N ATOM 250 CA LYS A 33 1.411 23.673 10.775 1.00 6.64 C ATOM 251 C LYS A 33 2.779 24.231 11.198 1.00 29.48 C ATOM 252 O LYS A 33 3.813 23.738 10.729 1.00 21.25 O ATOM 253 CB LYS A 33 0.745 24.701 9.864 1.00 11.25 C ATOM 254 CG LYS A 33 1.643 25.227 8.730 1.00 35.21 C ATOM 255 CD LYS A 33 1.957 24.153 7.694 1.00 20.85 C ATOM 256 CE LYS A 33 3.065 24.586 6.746 1.00 25.78 C ATOM 257 NZ LYS A 33 3.149 23.608 5.620 1.00 38.98 N1+ ATOM 258 N PHE A 34 2.715 25.242 12.046 1.00 13.85 N ATOM 259 CA PHE A 34 3.988 25.898 12.488 1.00 15.43 C ATOM 260 C PHE A 34 4.731 25.130 13.523 1.00 19.26 C ATOM 261 O PHE A 34 5.999 25.307 13.572 1.00 24.46 O ATOM 262 CB PHE A 34 3.701 27.391 12.771 1.00 11.42 C ATOM 263 CG PHE A 34 3.282 28.101 11.497 1.00 20.32 C ATOM 264 CD1 PHE A 34 4.070 28.036 10.343 1.00 20.54 C ATOM 265 CD2 PHE A 34 2.097 28.821 11.488 1.00 11.51 C ATOM 266 CE1 PHE A 34 3.665 28.687 9.177 1.00 22.73 C ATOM 267 CE2 PHE A 34 1.680 29.478 10.336 1.00 20.23 C ATOM 268 CZ PHE A 34 2.461 29.410 9.179 1.00 20.64 C ATOM 269 N GLU A 35 4.070 24.294 14.287 1.00 21.55 N ATOM 270 CA GLU A 35 4.773 23.503 15.304 1.00 11.54 C ATOM 271 C GLU A 35 5.504 22.301 14.754 1.00 16.17 C ATOM 272 O GLU A 35 6.674 22.101 15.131 1.00 22.50 O ATOM 273 CB GLU A 35 3.794 23.011 16.373 1.00 9.86 C ATOM 274 CG GLU A 35 3.339 23.995 17.450 1.00 24.06 C ATOM 275 CD GLU A 35 4.384 24.636 18.305 1.00 19.92 C ATOM 276 OE1 GLU A 35 5.546 24.201 18.417 1.00 33.80 O ATOM 277 OE2 GLU A 35 3.979 25.666 18.907 1.00 20.07 O1- ATOM 278 N SER A 36 4.846 21.516 13.913 1.00 19.87 N ATOM 279 CA SER A 36 5.422 20.292 13.353 1.00 9.91 C ATOM 280 C SER A 36 5.344 20.092 11.871 1.00 29.74 C ATOM 281 O SER A 36 5.826 19.023 11.382 1.00 24.94 O ATOM 282 CB SER A 36 4.688 19.107 14.061 1.00 29.55 C ATOM 283 OG SER A 36 3.342 19.046 13.583 1.00 19.32 O ATOM 284 N ASN A 37 4.788 21.010 11.128 1.00 17.91 N ATOM 285 CA ASN A 37 4.627 20.925 9.674 1.00 22.19 C ATOM 286 C ASN A 37 3.742 19.717 9.332 1.00 17.72 C ATOM 287 O ASN A 37 3.907 19.012 8.327 1.00 19.64 O ATOM 288 CB ASN A 37 5.973 20.929 8.941 1.00 20.13 C ATOM 289 CG ASN A 37 5.787 21.439 7.519 1.00 16.58 C ATOM 290 ND2 ASN A 37 6.620 20.948 6.617 1.00 51.08 N ATOM 291 OD1 ASN A 37 4.894 22.257 7.256 1.00 50.79 O ATOM 292 N PHE A 38 2.778 19.497 10.208 1.00 14.01 N ATOM 293 CA PHE A 38 1.782 18.439 10.137 1.00 13.42 C ATOM 294 C PHE A 38 2.354 17.026 10.229 1.00 10.00 C ATOM 295 O PHE A 38 1.691 16.065 9.776 1.00 15.20 O ATOM 296 CB PHE A 38 0.960 18.586 8.839 1.00 16.39 C ATOM 297 CG PHE A 38 0.200 19.847 8.642 1.00 13.66 C ATOM 298 CD1 PHE A 38 -0.421 20.514 9.697 1.00 16.84 C ATOM 299 CD2 PHE A 38 0.086 20.374 7.344 1.00 18.67 C ATOM 300 CE1 PHE A 38 -1.138 21.679 9.490 1.00 28.09 C ATOM 301 CE2 PHE A 38 -0.636 21.557 7.116 1.00 26.09 C ATOM 302 CZ PHE A 38 -1.240 22.202 8.198 1.00 27.35 C ATOM 303 N ASN A 39 3.522 16.915 10.787 1.00 16.70 N ATOM 304 CA ASN A 39 4.212 15.607 10.940 1.00 16.06 C ATOM 305 C ASN A 39 4.038 15.113 12.367 1.00 10.80 C ATOM 306 O ASN A 39 4.498 15.778 13.321 1.00 20.59 O ATOM 307 CB ASN A 39 5.678 15.732 10.513 1.00 28.18 C ATOM 308 CG ASN A 39 6.506 14.470 10.567 1.00 18.41 C ATOM 309 ND2 ASN A 39 7.835 14.606 10.385 1.00 27.06 N ATOM 310 OD1 ASN A 39 6.022 13.346 10.765 1.00 30.24 O ATOM 311 N THR A 40 3.393 13.961 12.483 1.00 17.77 N ATOM 312 CA THR A 40 3.143 13.348 13.783 1.00 16.90 C ATOM 313 C THR A 40 4.438 12.872 14.447 1.00 23.60 C ATOM 314 O THR A 40 4.425 12.739 15.689 1.00 17.65 O ATOM 315 CB THR A 40 2.107 12.151 13.727 1.00 21.87 C ATOM 316 CG2 THR A 40 0.745 12.505 13.131 1.00 12.98 C ATOM 317 OG1 THR A 40 2.770 11.075 12.976 1.00 18.31 O ATOM 318 N GLN A 41 5.471 12.630 13.657 1.00 13.63 N ATOM 319 CA GLN A 41 6.748 12.129 14.208 1.00 9.23 C ATOM 320 C GLN A 41 7.734 13.185 14.621 1.00 20.41 C ATOM 321 O GLN A 41 8.859 12.819 15.091 1.00 23.98 O ATOM 322 CB GLN A 41 7.406 11.148 13.191 1.00 14.66 C ATOM 323 CG GLN A 41 6.556 9.876 12.994 1.00 19.36 C ATOM 324 CD GLN A 41 7.343 8.787 12.286 1.00 20.86 C ATOM 325 NE2 GLN A 41 7.134 8.675 10.977 1.00 25.41 N ATOM 326 OE1 GLN A 41 8.133 8.055 12.877 1.00 30.75 O ATOM 327 N ALA A 42 7.394 14.441 14.491 1.00 15.87 N ATOM 328 CA ALA A 42 8.275 15.565 14.849 1.00 19.21 C ATOM 329 C ALA A 42 8.685 15.583 16.321 1.00 11.94 C ATOM 330 O ALA A 42 7.901 15.365 17.250 1.00 19.77 O ATOM 331 CB ALA A 42 7.588 16.871 14.434 1.00 12.53 C ATOM 332 N THR A 43 9.987 15.856 16.505 1.00 15.11 N ATOM 333 CA THR A 43 10.590 15.957 17.834 1.00 5.61 C ATOM 334 C THR A 43 11.619 17.095 17.803 1.00 29.78 C ATOM 335 O THR A 43 12.291 17.288 16.776 1.00 25.85 O ATOM 336 CB THR A 43 11.231 14.644 18.404 1.00 9.66 C ATOM 337 CG2 THR A 43 10.267 13.485 18.623 1.00 16.52 C ATOM 338 OG1 THR A 43 12.301 14.293 17.445 1.00 19.84 O ATOM 339 N ASN A 44 11.708 17.793 18.917 1.00 25.48 N ATOM 340 CA ASN A 44 12.646 18.904 19.089 1.00 19.32 C ATOM 341 C ASN A 44 13.087 19.008 20.557 1.00 11.06 C ATOM 342 O ASN A 44 12.240 19.075 21.454 1.00 23.76 O ATOM 343 CB ASN A 44 12.034 20.219 18.596 1.00 23.24 C ATOM 344 CG ASN A 44 11.975 20.294 17.074 1.00 43.73 C ATOM 345 ND2 ASN A 44 10.759 20.196 16.528 1.00 31.01 N ATOM 346 OD1 ASN A 44 13.008 20.426 16.405 1.00 28.50 O ATOM 347 N ARG A 45 14.399 19.034 20.724 1.00 19.28 N ATOM 348 CA ARG A 45 14.998 19.139 22.080 1.00 19.42 C ATOM 349 C ARG A 45 15.208 20.611 22.422 1.00 45.70 C ATOM 350 O ARG A 45 15.572 21.411 21.542 1.00 32.70 O ATOM 351 CB ARG A 45 16.292 18.340 22.203 1.00 21.48 C ATOM 352 CG ARG A 45 16.762 18.204 23.657 1.00 29.36 C ATOM 353 CD ARG A 45 16.764 16.789 24.115 1.00 38.47 C ATOM 354 NE ARG A 45 18.051 16.149 23.876 1.00 51.82 N ATOM 355 CZ ARG A 45 18.787 15.530 24.792 1.00 51.54 C ATOM 356 NH1 ARG A 45 18.256 14.858 25.806 1.00 35.24 N1+ ATOM 357 NH2 ARG A 45 20.125 15.582 24.693 1.00 68.38 N ATOM 358 N ASN A 46 14.978 20.943 23.680 1.00 30.55 N ATOM 359 CA ASN A 46 15.107 22.294 24.226 1.00 15.53 C ATOM 360 C ASN A 46 16.316 22.388 25.185 1.00 17.11 C ATOM 361 O ASN A 46 16.870 21.404 25.672 1.00 22.64 O ATOM 362 CB ASN A 46 13.840 22.757 24.933 1.00 20.53 C ATOM 363 CG ASN A 46 12.557 22.587 24.149 1.00 18.45 C ATOM 364 ND2 ASN A 46 11.796 21.556 24.487 1.00 25.81 N ATOM 365 OD1 ASN A 46 12.262 23.387 23.254 1.00 29.18 O ATOM 366 N THR A 47 16.673 23.632 25.430 1.00 37.31 N ATOM 367 CA THR A 47 17.780 24.037 26.288 1.00 42.32 C ATOM 368 C THR A 47 17.702 23.496 27.703 1.00 26.46 C ATOM 369 O THR A 47 18.752 23.188 28.308 1.00 31.83 O ATOM 370 CB THR A 47 18.206 25.421 26.432 1.00 39.12 C ATOM 371 CG2 THR A 47 19.085 25.584 25.184 1.00 34.48 C ATOM 372 OG1 THR A 47 17.074 26.279 26.441 1.00 79.79 O ATOM 373 N ASP A 48 16.500 23.394 28.224 1.00 20.36 N ATOM 374 CA ASP A 48 16.260 22.893 29.588 1.00 18.05 C ATOM 375 C ASP A 48 16.299 21.371 29.662 1.00 17.14 C ATOM 376 O ASP A 48 15.989 20.825 30.749 1.00 37.57 O ATOM 377 CB ASP A 48 14.937 23.479 30.127 1.00 17.79 C ATOM 378 CG ASP A 48 13.717 22.902 29.424 1.00 19.29 C ATOM 379 OD1 ASP A 48 13.792 22.540 28.239 1.00 33.66 O ATOM 380 OD2 ASP A 48 12.680 22.814 30.115 1.00 39.51 O1- ATOM 381 N GLY A 49 16.642 20.717 28.569 1.00 30.09 N ATOM 382 CA GLY A 49 16.713 19.259 28.538 1.00 15.07 C ATOM 383 C GLY A 49 15.415 18.553 28.252 1.00 14.45 C ATOM 384 O GLY A 49 15.419 17.303 28.156 1.00 25.11 O ATOM 385 N SER A 50 14.329 19.295 28.118 1.00 25.19 N ATOM 386 CA SER A 50 13.012 18.708 27.804 1.00 13.38 C ATOM 387 C SER A 50 12.991 18.538 26.261 1.00 20.56 C ATOM 388 O SER A 50 13.878 19.074 25.569 1.00 19.17 O ATOM 389 CB SER A 50 11.861 19.554 28.257 1.00 14.45 C ATOM 390 OG SER A 50 11.951 20.816 27.558 1.00 17.17 O ATOM 391 N THR A 51 12.011 17.829 25.779 1.00 19.46 N ATOM 392 CA THR A 51 11.803 17.548 24.351 1.00 18.67 C ATOM 393 C THR A 51 10.326 17.771 24.007 1.00 25.81 C ATOM 394 O THR A 51 9.441 17.471 24.829 1.00 24.40 O ATOM 395 CB THR A 51 12.278 16.114 23.936 1.00 15.62 C ATOM 396 CG2 THR A 51 12.142 15.819 22.439 1.00 18.29 C ATOM 397 OG1 THR A 51 13.672 16.018 24.385 1.00 17.72 O ATOM 398 N ASP A 52 10.110 18.284 22.809 1.00 19.31 N ATOM 399 CA ASP A 52 8.743 18.554 22.306 1.00 18.56 C ATOM 400 C ASP A 52 8.371 17.378 21.383 1.00 15.39 C ATOM 401 O ASP A 52 9.215 17.006 20.560 1.00 17.13 O ATOM 402 CB ASP A 52 8.662 19.920 21.646 1.00 19.42 C ATOM 403 CG ASP A 52 9.094 21.041 22.592 1.00 24.26 C ATOM 404 OD1 ASP A 52 8.581 21.166 23.709 1.00 26.79 O ATOM 405 OD2 ASP A 52 9.987 21.797 22.165 1.00 40.88 O1- ATOM 406 N TYR A 53 7.155 16.856 21.542 1.00 13.19 N ATOM 407 CA TYR A 53 6.700 15.733 20.759 1.00 21.90 C ATOM 408 C TYR A 53 5.385 15.804 20.004 1.00 13.29 C ATOM 409 O TYR A 53 4.344 16.246 20.492 1.00 20.11 O ATOM 410 CB TYR A 53 6.521 14.491 21.738 1.00 14.24 C ATOM 411 CG TYR A 53 7.761 14.043 22.444 1.00 28.43 C ATOM 412 CD1 TYR A 53 8.158 14.629 23.653 1.00 28.00 C ATOM 413 CD2 TYR A 53 8.565 13.015 21.920 1.00 18.73 C ATOM 414 CE1 TYR A 53 9.313 14.222 24.318 1.00 17.97 C ATOM 415 CE2 TYR A 53 9.723 12.600 22.576 1.00 40.49 C ATOM 416 CZ TYR A 53 10.088 13.207 23.778 1.00 31.64 C ATOM 417 OH TYR A 53 11.214 12.833 24.446 1.00 15.06 O ATOM 418 N GLY A 54 5.443 15.295 18.779 1.00 18.64 N ATOM 419 CA GLY A 54 4.356 15.177 17.859 1.00 20.67 C ATOM 420 C GLY A 54 3.852 16.399 17.156 1.00 26.16 C ATOM 421 O GLY A 54 4.443 17.481 17.133 1.00 20.29 O ATOM 422 N ILE A 55 2.683 16.192 16.555 1.00 19.88 N ATOM 423 CA ILE A 55 1.949 17.180 15.763 1.00 22.19 C ATOM 424 C ILE A 55 1.747 18.493 16.493 1.00 22.67 C ATOM 425 O ILE A 55 1.769 19.545 15.807 1.00 24.24 O ATOM 426 CB ILE A 55 0.633 16.514 15.212 1.00 17.75 C ATOM 427 CG1 ILE A 55 0.208 17.296 13.928 1.00 19.95 C ATOM 428 CG2 ILE A 55 -0.484 16.392 16.265 1.00 18.12 C ATOM 429 CD1 ILE A 55 0.130 16.394 12.672 1.00 27.47 C ATOM 430 N LEU A 56 1.577 18.434 17.805 1.00 12.52 N ATOM 431 CA LEU A 56 1.365 19.661 18.595 1.00 15.53 C ATOM 432 C LEU A 56 2.559 20.009 19.459 1.00 17.70 C ATOM 433 O LEU A 56 2.451 20.879 20.344 1.00 19.53 O ATOM 434 CB LEU A 56 0.027 19.530 19.334 1.00 24.89 C ATOM 435 CG LEU A 56 -1.238 19.818 18.538 1.00 26.49 C ATOM 436 CD1 LEU A 56 -2.484 19.401 19.325 1.00 26.77 C ATOM 437 CD2 LEU A 56 -1.311 21.308 18.216 1.00 27.25 C ATOM 438 N GLN A 57 3.669 19.363 19.184 1.00 0.01 N ATOM 439 CA GLN A 57 4.929 19.594 19.905 1.00 19.29 C ATOM 440 C GLN A 57 4.712 19.825 21.400 1.00 18.00 C ATOM 441 O GLN A 57 5.055 20.892 21.950 1.00 14.30 O ATOM 442 CB GLN A 57 5.703 20.746 19.249 1.00 13.49 C ATOM 443 CG GLN A 57 6.224 20.422 17.859 1.00 17.96 C ATOM 444 CD GLN A 57 7.499 19.612 17.865 1.00 15.73 C ATOM 445 NE2 GLN A 57 7.335 18.313 17.623 1.00 28.80 N ATOM 446 OE1 GLN A 57 8.618 20.109 18.070 1.00 15.50 O ATOM 447 N ILE A 58 4.156 18.812 22.031 1.00 17.34 N ATOM 448 CA ILE A 58 3.858 18.795 23.499 1.00 10.53 C ATOM 449 C ILE A 58 5.155 18.523 24.261 1.00 25.96 C ATOM 450 O ILE A 58 5.928 17.606 23.925 1.00 11.21 O ATOM 451 CB ILE A 58 2.678 17.828 23.741 1.00 14.67 C ATOM 452 CG1 ILE A 58 1.370 18.522 23.203 1.00 15.03 C ATOM 453 CG2 ILE A 58 2.499 17.354 25.200 1.00 14.49 C ATOM 454 CD1 ILE A 58 0.319 17.497 22.715 1.00 25.96 C ATOM 455 N ASN A 59 5.384 19.331 25.285 1.00 13.58 N ATOM 456 CA ASN A 59 6.572 19.324 26.129 1.00 17.16 C ATOM 457 C ASN A 59 6.624 18.291 27.240 1.00 18.04 C ATOM 458 O ASN A 59 5.687 18.119 28.016 1.00 26.19 O ATOM 459 CB ASN A 59 6.734 20.765 26.704 1.00 12.70 C ATOM 460 CG ASN A 59 8.118 20.893 27.338 1.00 22.22 C ATOM 461 ND2 ASN A 59 9.121 21.038 26.481 1.00 23.28 N ATOM 462 OD1 ASN A 59 8.220 20.845 28.559 1.00 30.46 O ATOM 463 N SER A 60 7.793 17.631 27.293 1.00 16.45 N ATOM 464 CA SER A 60 8.090 16.578 28.244 1.00 13.55 C ATOM 465 C SER A 60 8.325 17.026 29.679 1.00 9.45 C ATOM 466 O SER A 60 8.308 16.135 30.572 1.00 29.91 O ATOM 467 CB SER A 60 9.315 15.753 27.782 1.00 12.13 C ATOM 468 OG SER A 60 10.496 16.513 27.965 1.00 13.84 O ATOM 469 N ARG A 61 8.528 18.296 29.887 1.00 23.72 N ATOM 470 CA ARG A 61 8.771 18.788 31.288 1.00 21.70 C ATOM 471 C ARG A 61 7.458 18.931 32.020 1.00 40.59 C ATOM 472 O ARG A 61 7.464 18.918 33.275 1.00 41.36 O ATOM 473 CB ARG A 61 9.632 20.031 31.245 1.00 15.29 C ATOM 474 CG ARG A 61 9.282 21.235 32.057 1.00 28.86 C ATOM 475 CD ARG A 61 10.464 21.972 32.573 1.00 44.58 C ATOM 476 NE ARG A 61 11.047 21.519 33.789 1.00 48.99 N ATOM 477 CZ ARG A 61 12.351 21.292 33.901 1.00 77.96 C ATOM 478 NH1 ARG A 61 13.174 21.471 32.859 1.00 65.45 N1+ ATOM 479 NH2 ARG A 61 12.948 20.887 35.030 1.00 78.64 N ATOM 480 N TRP A 62 6.364 19.062 31.273 1.00 20.62 N ATOM 481 CA TRP A 62 5.055 19.217 31.850 1.00 11.74 C ATOM 482 C TRP A 62 3.973 18.210 31.573 1.00 11.87 C ATOM 483 O TRP A 62 3.246 17.848 32.519 1.00 14.62 O ATOM 484 CB TRP A 62 4.428 20.595 31.325 1.00 19.51 C ATOM 485 CG TRP A 62 5.216 21.774 31.734 1.00 17.63 C ATOM 486 CD1 TRP A 62 6.171 22.426 30.997 1.00 20.25 C ATOM 487 CD2 TRP A 62 5.141 22.474 32.986 1.00 24.40 C ATOM 488 CE2 TRP A 62 6.074 23.530 32.934 1.00 20.93 C ATOM 489 CE3 TRP A 62 4.365 22.298 34.129 1.00 28.99 C ATOM 490 NE1 TRP A 62 6.693 23.480 31.713 1.00 26.99 N ATOM 491 CZ2 TRP A 62 6.256 24.408 33.993 1.00 35.07 C ATOM 492 CZ3 TRP A 62 4.543 23.171 35.184 1.00 27.53 C ATOM 493 CH2 TRP A 62 5.469 24.206 35.121 1.00 42.40 C ATOM 494 N TRP A 63 3.840 17.811 30.313 1.00 18.83 N ATOM 495 CA TRP A 63 2.759 16.929 29.894 1.00 12.32 C ATOM 496 C TRP A 63 2.933 15.483 29.659 1.00 12.16 C ATOM 497 O TRP A 63 1.889 14.762 29.725 1.00 23.23 O ATOM 498 CB TRP A 63 2.175 17.617 28.556 1.00 26.09 C ATOM 499 CG TRP A 63 2.032 19.096 28.722 1.00 16.64 C ATOM 500 CD1 TRP A 63 2.779 20.076 28.146 1.00 14.96 C ATOM 501 CD2 TRP A 63 1.071 19.768 29.560 1.00 25.68 C ATOM 502 CE2 TRP A 63 1.303 21.153 29.429 1.00 26.11 C ATOM 503 CE3 TRP A 63 0.047 19.318 30.386 1.00 35.45 C ATOM 504 NE1 TRP A 63 2.352 21.320 28.567 1.00 23.15 N ATOM 505 CZ2 TRP A 63 0.539 22.101 30.101 1.00 15.86 C ATOM 506 CZ3 TRP A 63 -0.709 20.258 31.059 1.00 14.10 C ATOM 507 CH2 TRP A 63 -0.472 21.619 30.925 1.00 9.23 C ATOM 508 N CYS A 64 4.126 15.030 29.402 1.00 24.22 N ATOM 509 CA CYS A 64 4.361 13.592 29.131 1.00 18.31 C ATOM 510 C CYS A 64 5.708 13.156 29.640 1.00 14.22 C ATOM 511 O CYS A 64 6.602 14.005 29.831 1.00 19.04 O ATOM 512 CB CYS A 64 4.159 13.383 27.617 1.00 25.18 C ATOM 513 SG CYS A 64 5.473 14.180 26.589 1.00 20.12 S ATOM 514 N ASN A 65 5.842 11.857 29.852 1.00 32.37 N ATOM 515 CA ASN A 65 7.081 11.256 30.348 1.00 14.08 C ATOM 516 C ASN A 65 7.840 10.536 29.216 1.00 24.64 C ATOM 517 O ASN A 65 7.290 9.702 28.492 1.00 20.68 O ATOM 518 CB ASN A 65 6.797 10.327 31.528 1.00 18.27 C ATOM 519 CG ASN A 65 8.050 9.876 32.252 1.00 17.73 C ATOM 520 ND2 ASN A 65 9.071 10.728 32.321 1.00 30.67 N ATOM 521 OD1 ASN A 65 8.096 8.742 32.763 1.00 49.21 O ATOM 522 N ASP A 66 9.107 10.908 29.145 1.00 18.76 N ATOM 523 CA ASP A 66 10.047 10.356 28.151 1.00 12.33 C ATOM 524 C ASP A 66 11.259 9.723 28.842 1.00 28.71 C ATOM 525 O ASP A 66 12.283 9.373 28.220 1.00 23.32 O ATOM 526 CB ASP A 66 10.424 11.490 27.187 1.00 18.45 C ATOM 527 CG ASP A 66 11.341 12.573 27.655 1.00 26.97 C ATOM 528 OD1 ASP A 66 11.776 12.683 28.809 1.00 20.01 O ATOM 529 OD2 ASP A 66 11.712 13.449 26.800 1.00 16.70 O1- ATOM 530 N GLY A 67 11.142 9.607 30.142 1.00 22.01 N ATOM 531 CA GLY A 67 12.109 9.069 31.062 1.00 15.42 C ATOM 532 C GLY A 67 13.454 9.765 31.007 1.00 15.96 C ATOM 533 O GLY A 67 14.441 9.171 31.502 1.00 42.63 O ATOM 534 N ARG A 68 13.493 10.958 30.447 1.00 28.14 N ATOM 535 CA ARG A 68 14.801 11.693 30.350 1.00 24.88 C ATOM 536 C ARG A 68 14.718 13.141 30.734 1.00 29.46 C ATOM 537 O ARG A 68 15.713 13.905 30.514 1.00 30.68 O ATOM 538 CB ARG A 68 15.306 11.391 28.946 1.00 18.63 C ATOM 539 CG ARG A 68 15.862 12.353 27.998 1.00 28.47 C ATOM 540 CD ARG A 68 15.313 12.394 26.609 1.00 26.88 C ATOM 541 NE ARG A 68 16.357 12.058 25.654 1.00 42.24 N ATOM 542 CZ ARG A 68 16.575 12.611 24.456 1.00 31.62 C ATOM 543 NH1 ARG A 68 15.805 13.645 23.964 1.00 30.17 N1+ ATOM 544 NH2 ARG A 68 17.545 12.177 23.661 1.00 34.78 N ATOM 545 N THR A 69 13.618 13.586 31.305 1.00 21.58 N ATOM 546 CA THR A 69 13.438 15.019 31.731 1.00 18.91 C ATOM 547 C THR A 69 13.424 14.893 33.224 1.00 20.66 C ATOM 548 O THR A 69 12.572 14.199 33.798 1.00 29.17 O ATOM 549 CB THR A 69 12.240 15.694 31.010 1.00 23.71 C ATOM 550 CG2 THR A 69 12.266 17.221 31.109 1.00 37.73 C ATOM 551 OG1 THR A 69 12.251 15.358 29.630 1.00 21.71 O ATOM 552 N PRO A 70 14.370 15.570 33.850 1.00 43.28 N ATOM 553 CA PRO A 70 14.646 15.411 35.274 1.00 36.77 C ATOM 554 C PRO A 70 13.450 15.572 36.182 1.00 56.49 C ATOM 555 O PRO A 70 12.703 14.562 36.460 1.00 36.92 O ATOM 556 CB PRO A 70 15.735 16.437 35.541 1.00 29.64 C ATOM 557 CG PRO A 70 16.054 17.142 34.220 1.00 57.64 C ATOM 558 CD PRO A 70 15.196 16.563 33.147 1.00 47.04 C ATOM 559 N GLY A 71 13.265 16.739 36.667 1.00 48.58 N ATOM 560 CA GLY A 71 12.153 17.009 37.554 1.00 47.42 C ATOM 561 C GLY A 71 11.085 17.575 36.730 1.00 64.22 C ATOM 562 O GLY A 71 11.157 18.930 36.678 1.00 58.77 O ATOM 563 N SER A 72 10.281 16.405 36.219 1.00 41.70 N ATOM 564 CA SER A 72 9.061 16.431 35.254 1.00 33.12 C ATOM 565 C SER A 72 7.763 15.975 35.872 1.00 45.02 C ATOM 566 O SER A 72 7.643 15.181 36.794 1.00 57.93 O ATOM 567 CB SER A 72 9.385 15.661 33.954 1.00 39.32 C ATOM 568 OG SER A 72 8.851 14.347 34.022 1.00 45.16 O ATOM 569 N ARG A 73 6.748 16.585 35.273 1.00 22.25 N ATOM 570 CA ARG A 73 5.337 16.364 35.609 1.00 25.70 C ATOM 571 C ARG A 73 4.828 15.636 34.346 1.00 23.43 C ATOM 572 O ARG A 73 5.383 15.876 33.255 1.00 47.20 O ATOM 573 CB ARG A 73 4.552 17.592 35.926 1.00 30.54 C ATOM 574 CG ARG A 73 5.238 18.732 36.657 1.00 28.31 C ATOM 575 CD ARG A 73 5.146 18.606 38.142 1.00 48.24 C ATOM 576 NE ARG A 73 4.535 19.789 38.740 1.00 45.57 N ATOM 577 CZ ARG A 73 4.632 20.175 40.005 1.00 58.59 C ATOM 578 NH1 ARG A 73 5.508 19.658 40.872 1.00 54.32 N1+ ATOM 579 NH2 ARG A 73 3.803 21.143 40.450 1.00 57.45 N ATOM 580 N ASN A 74 3.865 14.826 34.585 1.00 24.93 N ATOM 581 CA ASN A 74 3.268 14.009 33.457 1.00 25.81 C ATOM 582 C ASN A 74 1.782 14.235 33.650 1.00 16.90 C ATOM 583 O ASN A 74 1.048 13.330 34.036 1.00 32.04 O ATOM 584 CB ASN A 74 3.839 12.645 33.640 1.00 27.50 C ATOM 585 CG ASN A 74 3.716 11.603 32.595 1.00 34.93 C ATOM 586 ND2 ASN A 74 3.574 11.996 31.348 1.00 35.72 N ATOM 587 OD1 ASN A 74 3.748 10.383 32.888 1.00 34.34 O ATOM 588 N LEU A 75 1.433 15.499 33.383 1.00 26.26 N ATOM 589 CA LEU A 75 0.033 15.939 33.551 1.00 34.20 C ATOM 590 C LEU A 75 -0.973 15.222 32.700 1.00 16.99 C ATOM 591 O LEU A 75 -2.164 15.106 33.119 1.00 33.77 O ATOM 592 CB LEU A 75 0.075 17.484 33.379 1.00 19.69 C ATOM 593 CG LEU A 75 0.925 18.228 34.407 1.00 28.06 C ATOM 594 CD1 LEU A 75 1.085 19.692 33.992 1.00 34.47 C ATOM 595 CD2 LEU A 75 0.280 18.151 35.796 1.00 29.03 C ATOM 596 N CYS A 76 -0.555 14.740 31.543 1.00 19.87 N ATOM 597 CA CYS A 76 -1.480 14.014 30.648 1.00 31.75 C ATOM 598 C CYS A 76 -1.405 12.517 30.947 1.00 14.54 C ATOM 599 O CYS A 76 -2.141 11.748 30.320 1.00 29.19 O ATOM 600 CB CYS A 76 -1.191 14.341 29.197 1.00 19.93 C ATOM 601 SG CYS A 76 -1.493 16.115 28.770 1.00 16.67 S ATOM 602 N ASN A 77 -0.531 12.163 31.876 1.00 23.61 N ATOM 603 CA ASN A 77 -0.327 10.750 32.291 1.00 38.75 C ATOM 604 C ASN A 77 -0.160 9.917 31.016 1.00 29.37 C ATOM 605 O ASN A 77 -1.045 9.125 30.658 1.00 31.72 O ATOM 606 CB ASN A 77 -1.445 10.270 33.211 1.00 41.76 C ATOM 607 CG ASN A 77 -1.177 10.545 34.682 1.00 58.64 C ATOM 608 ND2 ASN A 77 -0.194 9.850 35.255 1.00 68.24 N ATOM 609 OD1 ASN A 77 -1.863 11.390 35.287 1.00 55.39 O ATOM 610 N ILE A 78 0.979 10.148 30.353 1.00 23.49 N ATOM 611 CA ILE A 78 1.276 9.458 29.096 1.00 20.71 C ATOM 612 C ILE A 78 2.722 9.525 28.660 1.00 33.58 C ATOM 613 O ILE A 78 3.383 10.576 28.764 1.00 36.90 O ATOM 614 CB ILE A 78 0.340 10.112 27.998 1.00 20.33 C ATOM 615 CG1 ILE A 78 0.250 9.223 26.748 1.00 42.19 C ATOM 616 CG2 ILE A 78 0.791 11.561 27.651 1.00 15.98 C ATOM 617 CD1 ILE A 78 -0.898 9.631 25.767 1.00 48.98 C ATOM 618 N PRO A 79 3.198 8.395 28.153 1.00 14.65 N ATOM 619 CA PRO A 79 4.585 8.309 27.643 1.00 20.50 C ATOM 620 C PRO A 79 4.593 9.212 26.407 1.00 18.46 C ATOM 621 O PRO A 79 3.645 9.149 25.580 1.00 25.36 O ATOM 622 CB PRO A 79 4.821 6.869 27.379 1.00 33.82 C ATOM 623 CG PRO A 79 3.454 6.256 27.195 1.00 24.98 C ATOM 624 CD PRO A 79 2.492 7.127 27.991 1.00 26.61 C ATOM 625 N CYS A 80 5.615 10.025 26.291 1.00 17.73 N ATOM 626 CA CYS A 80 5.740 10.946 25.151 1.00 17.33 C ATOM 627 C CYS A 80 5.614 10.277 23.795 1.00 19.84 C ATOM 628 O CYS A 80 5.108 10.876 22.813 1.00 21.05 O ATOM 629 CB CYS A 80 7.099 11.662 25.256 1.00 21.54 C ATOM 630 SG CYS A 80 7.155 12.899 26.584 1.00 22.65 S ATOM 631 N SER A 81 6.084 9.052 23.711 1.00 22.86 N ATOM 632 CA SER A 81 6.073 8.253 22.478 1.00 29.54 C ATOM 633 C SER A 81 4.667 8.071 21.933 1.00 17.76 C ATOM 634 O SER A 81 4.476 7.945 20.709 1.00 28.00 O ATOM 635 CB SER A 81 6.742 6.896 22.698 1.00 21.46 C ATOM 636 OG SER A 81 6.136 6.176 23.749 1.00 27.07 O ATOM 637 N ALA A 82 3.708 8.063 22.839 1.00 15.92 N ATOM 638 CA ALA A 82 2.292 7.910 22.516 1.00 22.59 C ATOM 639 C ALA A 82 1.770 9.070 21.640 1.00 18.94 C ATOM 640 O ALA A 82 0.759 8.934 20.936 1.00 34.32 O ATOM 641 CB ALA A 82 1.465 7.857 23.801 1.00 27.53 C ATOM 642 N LEU A 83 2.468 10.191 21.696 1.00 15.76 N ATOM 643 CA LEU A 83 2.101 11.375 20.930 1.00 20.43 C ATOM 644 C LEU A 83 2.691 11.408 19.528 1.00 27.71 C ATOM 645 O LEU A 83 2.441 12.424 18.821 1.00 25.87 O ATOM 646 CB LEU A 83 2.604 12.651 21.631 1.00 21.55 C ATOM 647 CG LEU A 83 2.081 12.814 23.060 1.00 26.38 C ATOM 648 CD1 LEU A 83 2.882 13.829 23.878 1.00 39.97 C ATOM 649 CD2 LEU A 83 0.628 13.292 23.114 1.00 21.79 C ATOM 650 N LEU A 84 3.433 10.393 19.135 1.00 17.07 N ATOM 651 CA LEU A 84 4.045 10.368 17.801 1.00 10.31 C ATOM 652 C LEU A 84 3.345 9.421 16.841 1.00 26.24 C ATOM 653 O LEU A 84 3.891 9.147 15.748 1.00 44.00 O ATOM 654 CB LEU A 84 5.525 10.018 17.978 1.00 10.51 C ATOM 655 CG LEU A 84 6.395 10.974 18.752 1.00 22.21 C ATOM 656 CD1 LEU A 84 7.726 10.305 19.096 1.00 23.15 C ATOM 657 CD2 LEU A 84 6.658 12.216 17.905 1.00 30.96 C ATOM 658 N SER A 85 2.203 8.939 17.228 1.00 27.20 N ATOM 659 CA SER A 85 1.387 8.011 16.440 1.00 22.44 C ATOM 660 C SER A 85 0.606 8.709 15.337 1.00 36.66 C ATOM 661 O SER A 85 0.319 9.917 15.421 1.00 34.38 O ATOM 662 CB SER A 85 0.415 7.303 17.398 1.00 24.33 C ATOM 663 OG SER A 85 -0.571 6.575 16.687 1.00 31.62 O ATOM 664 N SER A 86 0.251 7.935 14.326 1.00 36.16 N ATOM 665 CA SER A 86 -0.546 8.421 13.166 1.00 25.25 C ATOM 666 C SER A 86 -1.957 8.769 13.645 1.00 25.42 C ATOM 667 O SER A 86 -2.663 9.608 13.046 1.00 24.13 O ATOM 668 CB SER A 86 -0.490 7.417 12.039 1.00 39.05 C ATOM 669 OG SER A 86 0.881 7.323 11.601 1.00 42.34 O ATOM 670 N ASP A 87 -2.350 8.141 14.734 1.00 24.95 N ATOM 671 CA ASP A 87 -3.674 8.364 15.378 1.00 19.63 C ATOM 672 C ASP A 87 -3.481 9.534 16.353 1.00 19.30 C ATOM 673 O ASP A 87 -2.782 9.358 17.378 1.00 21.89 O ATOM 674 CB ASP A 87 -4.142 7.059 15.984 1.00 27.01 C ATOM 675 CG ASP A 87 -5.553 7.127 16.541 1.00 47.20 C ATOM 676 OD1 ASP A 87 -5.913 8.118 17.194 1.00 38.25 O ATOM 677 OD2 ASP A 87 -6.284 6.143 16.294 1.00 64.81 O1- ATOM 678 N ILE A 88 -4.067 10.673 16.040 1.00 20.41 N ATOM 679 CA ILE A 88 -3.914 11.877 16.872 1.00 18.01 C ATOM 680 C ILE A 88 -4.741 11.933 18.129 1.00 11.54 C ATOM 681 O ILE A 88 -4.710 13.018 18.803 1.00 30.18 O ATOM 682 CB ILE A 88 -4.083 13.180 15.984 1.00 13.91 C ATOM 683 CG1 ILE A 88 -5.547 13.351 15.520 1.00 25.83 C ATOM 684 CG2 ILE A 88 -3.079 13.190 14.805 1.00 16.89 C ATOM 685 CD1 ILE A 88 -5.823 14.789 14.918 1.00 20.39 C ATOM 686 N THR A 89 -5.421 10.887 18.487 1.00 16.75 N ATOM 687 CA THR A 89 -6.250 10.895 19.707 1.00 13.06 C ATOM 688 C THR A 89 -5.519 11.327 20.960 1.00 25.49 C ATOM 689 O THR A 89 -6.028 12.170 21.728 1.00 20.91 O ATOM 690 CB THR A 89 -6.942 9.483 19.889 1.00 29.78 C ATOM 691 CG2 THR A 89 -7.874 9.402 21.095 1.00 21.40 C ATOM 692 OG1 THR A 89 -7.637 9.272 18.616 1.00 30.13 O ATOM 693 N ALA A 90 -4.358 10.763 21.195 1.00 24.77 N ATOM 694 CA ALA A 90 -3.566 11.077 22.388 1.00 19.75 C ATOM 695 C ALA A 90 -3.212 12.561 22.452 1.00 14.33 C ATOM 696 O ALA A 90 -3.392 13.216 23.492 1.00 21.26 O ATOM 697 CB ALA A 90 -2.316 10.200 22.413 1.00 28.09 C ATOM 698 N SER A 91 -2.713 13.055 21.338 1.00 15.21 N ATOM 699 CA SER A 91 -2.287 14.444 21.188 1.00 24.26 C ATOM 700 C SER A 91 -3.421 15.414 21.472 1.00 27.47 C ATOM 701 O SER A 91 -3.216 16.370 22.251 1.00 18.38 O ATOM 702 CB SER A 91 -1.689 14.686 19.801 1.00 25.61 C ATOM 703 OG SER A 91 -0.312 14.295 19.804 1.00 22.96 O ATOM 704 N VAL A 92 -4.560 15.168 20.862 1.00 11.52 N ATOM 705 CA VAL A 92 -5.737 16.042 21.038 1.00 13.48 C ATOM 706 C VAL A 92 -6.247 16.022 22.466 1.00 19.36 C ATOM 707 O VAL A 92 -6.626 17.115 22.964 1.00 24.59 O ATOM 708 CB VAL A 92 -6.985 15.721 20.186 1.00 16.86 C ATOM 709 CG1 VAL A 92 -8.250 16.415 20.694 1.00 34.22 C ATOM 710 CG2 VAL A 92 -6.836 16.148 18.724 1.00 21.38 C ATOM 711 N ASN A 93 -6.272 14.860 23.087 1.00 15.94 N ATOM 712 CA ASN A 93 -6.773 14.748 24.479 1.00 28.00 C ATOM 713 C ASN A 93 -5.848 15.501 25.442 1.00 13.81 C ATOM 714 O ASN A 93 -6.319 16.095 26.430 1.00 12.86 O ATOM 715 CB ASN A 93 -6.990 13.299 24.887 1.00 31.38 C ATOM 716 CG ASN A 93 -8.163 12.577 24.285 1.00 19.01 C ATOM 717 ND2 ASN A 93 -9.068 13.249 23.584 1.00 35.81 N ATOM 718 OD1 ASN A 93 -8.266 11.332 24.453 1.00 48.38 O ATOM 719 N CYS A 94 -4.569 15.447 25.134 1.00 23.91 N ATOM 720 CA CYS A 94 -3.554 16.136 25.955 1.00 8.71 C ATOM 721 C CYS A 94 -3.693 17.651 25.741 1.00 27.25 C ATOM 722 O CYS A 94 -3.648 18.453 26.687 1.00 17.94 O ATOM 723 CB CYS A 94 -2.158 15.652 25.620 1.00 22.80 C ATOM 724 SG CYS A 94 -0.929 16.382 26.775 1.00 20.22 S ATOM 725 N ALA A 95 -3.867 18.016 24.475 1.00 19.54 N ATOM 726 CA ALA A 95 -4.019 19.426 24.065 1.00 20.52 C ATOM 727 C ALA A 95 -5.172 20.100 24.806 1.00 14.35 C ATOM 728 O ALA A 95 -5.069 21.263 25.258 1.00 18.51 O ATOM 729 CB ALA A 95 -4.172 19.513 22.552 1.00 19.53 C ATOM 730 N LYS A 96 -6.252 19.351 24.925 1.00 17.78 N ATOM 731 CA LYS A 96 -7.473 19.838 25.616 1.00 22.08 C ATOM 732 C LYS A 96 -7.127 20.240 27.035 1.00 15.06 C ATOM 733 O LYS A 96 -7.606 21.254 27.551 1.00 23.81 O ATOM 734 CB LYS A 96 -8.568 18.788 25.561 1.00 13.80 C ATOM 735 CG LYS A 96 -9.140 18.629 24.127 1.00 16.07 C ATOM 736 CD LYS A 96 -10.098 17.448 24.084 1.00 28.79 C ATOM 737 CE LYS A 96 -11.164 17.643 23.004 1.00 27.93 C ATOM 738 NZ LYS A 96 -11.880 16.348 22.809 1.00 27.94 N1+ ATOM 739 N LYS A 97 -6.274 19.413 27.635 1.00 19.69 N ATOM 740 CA LYS A 97 -5.811 19.646 29.014 1.00 40.32 C ATOM 741 C LYS A 97 -4.942 20.898 29.071 1.00 33.51 C ATOM 742 O LYS A 97 -5.094 21.740 29.983 1.00 23.22 O ATOM 743 CB LYS A 97 -5.060 18.441 29.556 1.00 13.22 C ATOM 744 CG LYS A 97 -5.951 17.279 29.986 1.00 19.34 C ATOM 745 CD LYS A 97 -5.579 16.751 31.369 1.00 47.48 C ATOM 746 CE LYS A 97 -6.793 16.307 32.162 1.00 41.80 C ATOM 747 NZ LYS A 97 -7.395 17.467 32.928 1.00 50.91 N1+ ATOM 748 N ILE A 98 -4.044 21.030 28.104 1.00 14.14 N ATOM 749 CA ILE A 98 -3.122 22.162 28.023 1.00 8.77 C ATOM 750 C ILE A 98 -3.837 23.501 27.849 1.00 14.84 C ATOM 751 O ILE A 98 -3.566 24.438 28.623 1.00 19.12 O ATOM 752 CB ILE A 98 -2.039 21.967 26.896 1.00 15.18 C ATOM 753 CG1 ILE A 98 -1.243 20.658 27.108 1.00 9.30 C ATOM 754 CG2 ILE A 98 -1.084 23.195 26.778 1.00 8.09 C ATOM 755 CD1 ILE A 98 -0.377 20.251 25.860 1.00 9.37 C ATOM 756 N VAL A 99 -4.689 23.560 26.848 1.00 12.79 N ATOM 757 CA VAL A 99 -5.430 24.793 26.527 1.00 21.41 C ATOM 758 C VAL A 99 -6.326 25.256 27.658 1.00 31.14 C ATOM 759 O VAL A 99 -6.627 26.476 27.687 1.00 30.92 O ATOM 760 CB VAL A 99 -6.156 24.615 25.170 1.00 13.67 C ATOM 761 CG1 VAL A 99 -7.403 23.760 25.246 1.00 7.22 C ATOM 762 CG2 VAL A 99 -6.448 25.970 24.528 1.00 16.45 C ATOM 763 N SER A 100 -6.734 24.369 28.532 1.00 16.57 N ATOM 764 CA SER A 100 -7.594 24.703 29.665 1.00 14.62 C ATOM 765 C SER A 100 -6.839 25.089 30.927 1.00 35.20 C ATOM 766 O SER A 100 -7.504 25.301 31.974 1.00 28.84 O ATOM 767 CB SER A 100 -8.459 23.461 30.009 1.00 11.94 C ATOM 768 OG SER A 100 -9.141 22.977 28.874 1.00 33.30 O ATOM 769 N ASP A 101 -5.517 25.176 30.886 1.00 29.36 N ATOM 770 CA ASP A 101 -4.711 25.490 32.066 1.00 38.51 C ATOM 771 C ASP A 101 -4.594 26.938 32.485 1.00 41.74 C ATOM 772 O ASP A 101 -4.102 27.136 33.656 1.00 51.62 O ATOM 773 CB ASP A 101 -3.269 24.895 31.913 1.00 33.30 C ATOM 774 CG ASP A 101 -2.731 24.387 33.248 1.00 64.49 C ATOM 775 OD1 ASP A 101 -3.562 24.014 34.127 1.00 44.50 O ATOM 776 OD2 ASP A 101 -1.499 24.338 33.460 1.00 53.30 O1- ATOM 777 N GLY A 102 -4.967 27.888 31.667 1.00 44.34 N ATOM 778 CA GLY A 102 -4.871 29.293 32.059 1.00 30.65 C ATOM 779 C GLY A 102 -4.203 30.229 31.108 1.00 51.16 C ATOM 780 O GLY A 102 -4.472 31.453 31.205 1.00 46.48 O ATOM 781 N ASN A 103 -3.352 29.723 30.235 1.00 17.01 N ATOM 782 CA ASN A 103 -2.669 30.632 29.257 1.00 12.38 C ATOM 783 C ASN A 103 -3.250 30.357 27.871 1.00 19.01 C ATOM 784 O ASN A 103 -2.754 30.889 26.874 1.00 25.26 O ATOM 785 CB ASN A 103 -1.137 30.808 29.458 1.00 34.54 C ATOM 786 CG ASN A 103 -0.617 30.927 30.896 1.00 39.60 C ATOM 787 ND2 ASN A 103 0.194 31.971 31.130 1.00 49.56 N ATOM 788 OD1 ASN A 103 -0.777 30.085 31.747 1.00 72.74 O ATOM 789 N GLY A 104 -4.283 29.536 27.832 1.00 22.05 N ATOM 790 CA GLY A 104 -4.965 29.170 26.575 1.00 16.60 C ATOM 791 C GLY A 104 -3.923 28.647 25.582 1.00 21.77 C ATOM 792 O GLY A 104 -2.973 27.953 25.973 1.00 16.58 O ATOM 793 N MET A 105 -4.127 29.004 24.326 1.00 29.94 N ATOM 794 CA MET A 105 -3.252 28.612 23.224 1.00 12.04 C ATOM 795 C MET A 105 -1.890 29.295 23.275 1.00 16.23 C ATOM 796 O MET A 105 -1.046 28.940 22.428 1.00 15.10 O ATOM 797 CB MET A 105 -3.961 28.813 21.865 1.00 19.24 C ATOM 798 CG MET A 105 -4.886 27.613 21.660 1.00 19.20 C ATOM 799 SD MET A 105 -5.291 27.475 19.892 1.00 17.38 S ATOM 800 CE MET A 105 -3.724 26.854 19.255 1.00 22.91 C ATOM 801 N ASN A 106 -1.665 30.204 24.202 1.00 19.61 N ATOM 802 CA ASN A 106 -0.366 30.900 24.334 1.00 19.83 C ATOM 803 C ASN A 106 0.723 29.884 24.714 1.00 14.25 C ATOM 804 O ASN A 106 1.929 30.175 24.596 1.00 22.04 O ATOM 805 CB ASN A 106 -0.423 32.116 25.269 1.00 25.44 C ATOM 806 CG ASN A 106 -1.240 33.260 24.685 1.00 24.66 C ATOM 807 ND2 ASN A 106 -2.328 33.635 25.357 1.00 20.13 N ATOM 808 OD1 ASN A 106 -0.884 33.797 23.618 1.00 23.46 O ATOM 809 N ALA A 107 0.305 28.712 25.145 1.00 9.93 N ATOM 810 CA ALA A 107 1.164 27.601 25.518 1.00 11.75 C ATOM 811 C ALA A 107 1.937 27.090 24.284 1.00 17.58 C ATOM 812 O ALA A 107 2.957 26.387 24.438 1.00 26.91 O ATOM 813 CB ALA A 107 0.357 26.486 26.171 1.00 21.33 C ATOM 814 N TRP A 108 1.465 27.439 23.101 1.00 10.65 N ATOM 815 CA TRP A 108 2.093 27.064 21.829 1.00 11.53 C ATOM 816 C TRP A 108 2.803 28.297 21.258 1.00 11.71 C ATOM 817 O TRP A 108 2.171 29.193 20.685 1.00 22.76 O ATOM 818 CB TRP A 108 1.127 26.458 20.797 1.00 12.75 C ATOM 819 CG TRP A 108 0.736 25.051 21.101 1.00 8.07 C ATOM 820 CD1 TRP A 108 1.418 23.907 20.763 1.00 12.90 C ATOM 821 CD2 TRP A 108 -0.434 24.630 21.815 1.00 11.58 C ATOM 822 CE2 TRP A 108 -0.395 23.216 21.878 1.00 15.59 C ATOM 823 CE3 TRP A 108 -1.491 25.308 22.404 1.00 18.73 C ATOM 824 NE1 TRP A 108 0.741 22.798 21.231 1.00 9.13 N ATOM 825 CZ2 TRP A 108 -1.385 22.481 22.507 1.00 13.91 C ATOM 826 CZ3 TRP A 108 -2.484 24.570 23.035 1.00 15.66 C ATOM 827 CH2 TRP A 108 -2.428 23.179 23.081 1.00 23.18 C ATOM 828 N VAL A 109 4.126 28.292 21.420 1.00 14.57 N ATOM 829 CA VAL A 109 4.969 29.391 20.924 1.00 11.95 C ATOM 830 C VAL A 109 4.697 29.722 19.456 1.00 12.70 C ATOM 831 O VAL A 109 4.559 30.925 19.114 1.00 21.23 O ATOM 832 CB VAL A 109 6.458 29.052 21.164 1.00 25.59 C ATOM 833 CG1 VAL A 109 6.898 27.758 20.493 1.00 35.51 C ATOM 834 CG2 VAL A 109 7.383 30.187 20.731 1.00 26.45 C ATOM 835 N ALA A 110 4.626 28.707 18.617 1.00 13.84 N ATOM 836 CA ALA A 110 4.380 28.921 17.170 1.00 23.75 C ATOM 837 C ALA A 110 3.030 29.606 16.955 1.00 12.22 C ATOM 838 O ALA A 110 2.893 30.449 16.036 1.00 12.83 O ATOM 839 CB ALA A 110 4.496 27.623 16.395 1.00 20.07 C ATOM 840 N TRP A 111 2.066 29.259 17.791 1.00 19.06 N ATOM 841 CA TRP A 111 0.726 29.824 17.729 1.00 9.71 C ATOM 842 C TRP A 111 0.739 31.327 18.092 1.00 14.15 C ATOM 843 O TRP A 111 0.153 32.155 17.380 1.00 10.51 O ATOM 844 CB TRP A 111 -0.310 29.096 18.638 1.00 20.67 C ATOM 845 CG TRP A 111 -1.662 29.737 18.500 1.00 19.29 C ATOM 846 CD1 TRP A 111 -2.588 29.530 17.519 1.00 11.87 C ATOM 847 CD2 TRP A 111 -2.218 30.727 19.381 1.00 18.00 C ATOM 848 CE2 TRP A 111 -3.489 31.064 18.867 1.00 20.34 C ATOM 849 CE3 TRP A 111 -1.763 31.344 20.540 1.00 15.39 C ATOM 850 NE1 TRP A 111 -3.689 30.323 17.732 1.00 20.34 N ATOM 851 CZ2 TRP A 111 -4.313 31.999 19.483 1.00 22.85 C ATOM 852 CZ3 TRP A 111 -2.581 32.273 21.155 1.00 16.39 C ATOM 853 CH2 TRP A 111 -3.837 32.596 20.637 1.00 18.11 C ATOM 854 N ARG A 112 1.381 31.607 19.202 1.00 21.29 N ATOM 855 CA ARG A 112 1.497 32.967 19.742 1.00 18.20 C ATOM 856 C ARG A 112 2.113 33.930 18.739 1.00 20.27 C ATOM 857 O ARG A 112 1.571 35.033 18.515 1.00 29.97 O ATOM 858 CB ARG A 112 2.292 32.963 21.056 1.00 17.06 C ATOM 859 CG ARG A 112 2.329 34.295 21.784 1.00 52.73 C ATOM 860 CD ARG A 112 2.458 34.180 23.250 1.00 44.41 C ATOM 861 NE ARG A 112 3.543 33.400 23.754 1.00 55.52 N ATOM 862 CZ ARG A 112 4.850 33.568 23.591 1.00 40.04 C ATOM 863 NH1 ARG A 112 5.371 34.579 22.900 1.00 41.77 N1+ ATOM 864 NH2 ARG A 112 5.690 32.686 24.140 1.00 50.44 N ATOM 865 N ASN A 113 3.206 33.534 18.131 1.00 15.28 N ATOM 866 CA ASN A 113 3.930 34.347 17.166 1.00 21.76 C ATOM 867 C ASN A 113 3.538 34.303 15.711 1.00 17.96 C ATOM 868 O ASN A 113 3.957 35.265 14.986 1.00 19.79 O ATOM 869 CB ASN A 113 5.438 33.900 17.252 1.00 15.48 C ATOM 870 CG ASN A 113 6.070 34.259 18.570 1.00 10.37 C ATOM 871 ND2 ASN A 113 7.054 33.433 18.952 1.00 18.50 N ATOM 872 OD1 ASN A 113 5.691 35.231 19.225 1.00 18.44 O ATOM 873 N ARG A 114 2.839 33.284 15.250 1.00 11.35 N ATOM 874 CA ARG A 114 2.482 33.182 13.828 1.00 16.89 C ATOM 875 C ARG A 114 1.036 32.990 13.488 1.00 23.10 C ATOM 876 O ARG A 114 0.700 33.051 12.273 1.00 19.21 O ATOM 877 CB ARG A 114 3.278 31.983 13.203 1.00 20.32 C ATOM 878 CG ARG A 114 4.788 32.163 13.384 1.00 22.43 C ATOM 879 CD ARG A 114 5.575 31.039 12.866 1.00 25.82 C ATOM 880 NE ARG A 114 5.828 31.117 11.433 1.00 22.39 N ATOM 881 CZ ARG A 114 6.577 30.250 10.754 1.00 16.81 C ATOM 882 NH1 ARG A 114 7.197 29.252 11.372 1.00 17.66 N1+ ATOM 883 NH2 ARG A 114 6.712 30.369 9.426 1.00 24.58 N ATOM 884 N CYS A 115 0.209 32.766 14.490 1.00 17.89 N ATOM 885 CA CYS A 115 -1.223 32.546 14.275 1.00 24.46 C ATOM 886 C CYS A 115 -2.127 33.542 14.955 1.00 11.71 C ATOM 887 O CYS A 115 -3.114 34.027 14.344 1.00 17.25 O ATOM 888 CB CYS A 115 -1.556 31.125 14.792 1.00 21.24 C ATOM 889 SG CYS A 115 -0.665 29.809 13.907 1.00 17.23 S ATOM 890 N LYS A 116 -1.799 33.803 16.210 1.00 13.68 N ATOM 891 CA LYS A 116 -2.550 34.748 17.047 1.00 22.97 C ATOM 892 C LYS A 116 -2.681 36.082 16.309 1.00 17.82 C ATOM 893 O LYS A 116 -1.672 36.645 15.839 1.00 24.10 O ATOM 894 CB LYS A 116 -1.862 34.964 18.379 1.00 17.29 C ATOM 895 CG LYS A 116 -2.704 35.781 19.395 1.00 14.35 C ATOM 896 CD LYS A 116 -1.901 35.933 20.682 1.00 12.25 C ATOM 897 CE LYS A 116 -2.723 36.503 21.820 1.00 18.50 C ATOM 898 NZ LYS A 116 -1.907 36.454 23.084 1.00 14.75 N1+ ATOM 899 N GLY A 117 -3.903 36.556 16.206 1.00 34.51 N ATOM 900 CA GLY A 117 -4.238 37.809 15.551 1.00 23.17 C ATOM 901 C GLY A 117 -4.189 37.800 14.048 1.00 25.41 C ATOM 902 O GLY A 117 -4.252 38.902 13.435 1.00 47.28 O ATOM 903 N THR A 118 -4.082 36.645 13.433 1.00 24.28 N ATOM 904 CA THR A 118 -4.058 36.526 11.960 1.00 24.37 C ATOM 905 C THR A 118 -5.442 35.965 11.562 1.00 9.29 C ATOM 906 O THR A 118 -6.224 35.642 12.479 1.00 25.13 O ATOM 907 CB THR A 118 -2.889 35.686 11.384 1.00 29.32 C ATOM 908 CG2 THR A 118 -1.504 36.082 11.924 1.00 10.57 C ATOM 909 OG1 THR A 118 -3.214 34.274 11.668 1.00 19.68 O ATOM 910 N ASP A 119 -5.681 35.883 10.274 1.00 22.38 N ATOM 911 CA ASP A 119 -6.988 35.345 9.813 1.00 18.05 C ATOM 912 C ASP A 119 -6.786 33.827 9.671 1.00 13.92 C ATOM 913 O ASP A 119 -6.534 33.299 8.591 1.00 30.14 O ATOM 914 CB ASP A 119 -7.551 36.058 8.589 1.00 30.27 C ATOM 915 CG ASP A 119 -8.590 35.115 7.983 1.00 60.66 C ATOM 916 OD1 ASP A 119 -9.630 34.777 8.667 1.00 64.89 O ATOM 917 OD2 ASP A 119 -8.427 34.657 6.788 1.00 64.55 O1- ATOM 918 N VAL A 120 -6.922 33.187 10.819 1.00 20.88 N ATOM 919 CA VAL A 120 -6.770 31.713 10.921 1.00 35.36 C ATOM 920 C VAL A 120 -7.784 30.986 10.051 1.00 33.17 C ATOM 921 O VAL A 120 -7.543 29.817 9.646 1.00 20.00 O ATOM 922 CB VAL A 120 -6.784 31.313 12.411 1.00 24.44 C ATOM 923 CG1 VAL A 120 -5.535 31.837 13.135 1.00 18.03 C ATOM 924 CG2 VAL A 120 -8.043 31.742 13.132 1.00 25.94 C ATOM 925 N GLN A 121 -8.893 31.638 9.741 1.00 26.87 N ATOM 926 CA GLN A 121 -9.956 31.063 8.916 1.00 31.93 C ATOM 927 C GLN A 121 -9.460 30.587 7.561 1.00 34.81 C ATOM 928 O GLN A 121 -10.108 29.728 6.915 1.00 38.02 O ATOM 929 CB GLN A 121 -11.173 32.026 8.779 1.00 42.65 C ATOM 930 CG GLN A 121 -12.370 31.260 8.209 1.00 50.99 C ATOM 931 CD GLN A 121 -13.742 31.658 8.635 1.00 51.80 C ATOM 932 NE2 GLN A 121 -13.945 32.945 8.962 1.00 59.30 N ATOM 933 OE1 GLN A 121 -14.682 30.829 8.675 1.00 53.79 O ATOM 934 N ALA A 122 -8.337 31.124 7.131 1.00 24.70 N ATOM 935 CA ALA A 122 -7.718 30.761 5.853 1.00 20.96 C ATOM 936 C ALA A 122 -7.213 29.315 5.901 1.00 21.47 C ATOM 937 O ALA A 122 -7.095 28.665 4.844 1.00 26.83 O ATOM 938 CB ALA A 122 -6.586 31.718 5.527 1.00 28.62 C ATOM 939 N TRP A 123 -6.920 28.833 7.104 1.00 17.80 N ATOM 940 CA TRP A 123 -6.401 27.445 7.251 1.00 20.09 C ATOM 941 C TRP A 123 -7.388 26.371 6.890 1.00 25.37 C ATOM 942 O TRP A 123 -6.974 25.240 6.499 1.00 24.89 O ATOM 943 CB TRP A 123 -5.787 27.320 8.677 1.00 9.16 C ATOM 944 CG TRP A 123 -4.543 28.163 8.760 1.00 8.40 C ATOM 945 CD1 TRP A 123 -4.406 29.386 9.337 1.00 21.96 C ATOM 946 CD2 TRP A 123 -3.260 27.825 8.221 1.00 13.23 C ATOM 947 CE2 TRP A 123 -2.394 28.896 8.521 1.00 27.51 C ATOM 948 CE3 TRP A 123 -2.775 26.725 7.522 1.00 24.82 C ATOM 949 NE1 TRP A 123 -3.114 29.832 9.204 1.00 19.28 N ATOM 950 CZ2 TRP A 123 -1.059 28.897 8.142 1.00 31.32 C ATOM 951 CZ3 TRP A 123 -1.447 26.715 7.141 1.00 21.74 C ATOM 952 CH2 TRP A 123 -0.603 27.782 7.447 1.00 41.22 C ATOM 953 N ILE A 124 -8.660 26.670 6.992 1.00 21.33 N ATOM 954 CA ILE A 124 -9.722 25.695 6.639 1.00 22.13 C ATOM 955 C ILE A 124 -10.302 25.967 5.258 1.00 32.48 C ATOM 956 O ILE A 124 -11.331 25.320 4.912 1.00 22.70 O ATOM 957 CB ILE A 124 -10.728 25.648 7.841 1.00 23.04 C ATOM 958 CG1 ILE A 124 -11.291 27.043 8.157 1.00 18.61 C ATOM 959 CG2 ILE A 124 -10.030 25.010 9.092 1.00 24.59 C ATOM 960 CD1 ILE A 124 -12.404 27.102 9.256 1.00 45.49 C ATOM 961 N ARG A 125 -9.734 26.830 4.421 1.00 30.91 N ATOM 962 CA ARG A 125 -10.198 27.185 3.080 1.00 27.38 C ATOM 963 C ARG A 125 -10.169 26.029 2.052 1.00 23.45 C ATOM 964 O ARG A 125 -9.124 25.530 1.665 1.00 39.60 O ATOM 965 CB ARG A 125 -9.562 28.296 2.308 1.00 35.39 C ATOM 966 CG ARG A 125 -8.746 29.441 2.598 1.00 66.11 C ATOM 967 CD ARG A 125 -7.501 29.568 1.732 1.00 35.81 C ATOM 968 NE ARG A 125 -7.330 30.970 1.299 1.00 56.79 N ATOM 969 CZ ARG A 125 -6.185 31.581 0.994 1.00 56.87 C ATOM 970 NH1 ARG A 125 -4.988 30.994 1.082 1.00 62.24 N1+ ATOM 971 NH2 ARG A 125 -6.218 32.859 0.567 1.00 62.04 N ATOM 972 N GLY A 126 -11.404 25.722 1.636 1.00 25.19 N ATOM 973 CA GLY A 126 -11.664 24.674 0.652 1.00 26.37 C ATOM 974 C GLY A 126 -11.881 23.309 1.253 1.00 24.63 C ATOM 975 O GLY A 126 -12.063 22.319 0.496 1.00 44.29 O ATOM 976 N CYS A 127 -11.882 23.224 2.570 1.00 21.46 N ATOM 977 CA CYS A 127 -12.084 21.955 3.279 1.00 24.12 C ATOM 978 C CYS A 127 -13.543 21.535 3.308 1.00 19.35 C ATOM 979 O CYS A 127 -14.469 22.349 3.388 1.00 20.63 O ATOM 980 CB CYS A 127 -11.504 22.059 4.708 1.00 16.90 C ATOM 981 SG CYS A 127 -9.695 22.249 4.609 1.00 22.71 S ATOM 982 N ARG A 128 -13.726 20.230 3.253 1.00 29.87 N ATOM 983 CA ARG A 128 -15.025 19.564 3.292 1.00 17.04 C ATOM 984 C ARG A 128 -15.290 19.145 4.750 1.00 20.02 C ATOM 985 O ARG A 128 -14.970 18.015 5.178 1.00 42.56 O ATOM 986 CB ARG A 128 -15.082 18.354 2.368 1.00 31.05 C ATOM 987 CG ARG A 128 -15.481 18.611 0.934 1.00 35.45 C ATOM 988 CD ARG A 128 -16.984 18.628 0.788 1.00 54.63 C ATOM 989 NE ARG A 128 -17.467 17.307 0.324 1.00 55.58 N ATOM 990 CZ ARG A 128 -18.032 16.412 1.146 1.00 83.67 C ATOM 991 NH1 ARG A 128 -17.728 16.390 2.450 1.00 85.64 N1+ ATOM 992 NH2 ARG A 128 -18.918 15.515 0.676 1.00 62.69 N ATOM 993 N LEU A 129 -15.873 20.060 5.495 1.00 26.02 N ATOM 994 CA LEU A 129 -16.186 19.851 6.911 1.00 30.59 C ATOM 995 C LEU A 129 -17.661 20.003 7.247 1.00 43.61 C ATOM 996 O LEU A 129 -18.388 20.459 6.336 1.00 39.83 O ATOM 997 CB LEU A 129 -15.324 20.866 7.700 1.00 15.32 C ATOM 998 CG LEU A 129 -13.824 20.675 7.712 1.00 22.28 C ATOM 999 CD1 LEU A 129 -13.088 22.029 7.721 1.00 41.00 C ATOM 1000 CD2 LEU A 129 -13.441 19.891 8.982 1.00 29.73 C ATOM 1001 OXT LEU A 129 -17.993 19.662 8.407 1.00 31.81 O1- END