@MOLECULE coprostanone 74 77 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.8245 -0.4545 0.7402 O.2 1 UNL1111111111 -0.4739 2 C 0.5875 -0.1488 -0.0416 C.3 1 UNL1111111111 0.0737 3 C -0.3045 1.0423 0.4263 C.3 1 UNL1111111111 -0.1462 4 C -1.6955 0.9912 -0.2066 C.3 1 UNL1111111111 -0.1202 5 C -2.3806 -0.3092 0.2922 C.3 1 UNL1111111111 -0.1357 6 C -3.8273 -0.4332 -0.2720 C.3 1 UNL1111111111 0.0626 7 C 1.9430 0.2346 0.6277 C.3 1 UNL1111111111 -0.1446 8 C -0.0780 -1.4248 0.4921 C.3 1 UNL1111111111 -0.2984 9 C -1.5179 -1.5418 -0.0403 C.3 1 UNL1111111111 -0.2794 10 C 0.5684 2.2737 0.1553 C.3 1 UNL1111111111 -0.2814 11 C -4.6077 0.8345 0.1755 C.3 1 UNL1111111111 -0.1029 12 C -2.5180 2.2229 0.2010 C.3 1 UNL1111111111 -0.2842 13 C 2.0034 1.7831 0.4546 C.3 1 UNL1111111111 -0.2787 14 C -3.9445 2.1175 -0.3450 C.3 1 UNL1111111111 -0.2793 15 C -4.5218 -1.6543 0.3816 C.3 1 UNL1111111111 -0.2832 16 C 0.7409 -0.2223 -1.5652 C.3 1 UNL1111111111 -0.4573 17 C 3.2081 -0.4453 0.0706 C.3 1 UNL1111111111 -0.0904 18 C -3.8170 -0.6010 -1.7949 C.3 1 UNL1111111111 -0.4569 19 C -6.0759 0.7875 -0.2661 C.3 1 UNL1111111111 -0.4008 20 C -5.9987 -1.7707 -0.0002 C.3 1 UNL1111111111 -0.3799 21 C 4.4533 0.0526 0.8390 C.3 1 UNL1111111111 -0.2929 22 C -6.7365 -0.4753 0.2208 C.2 1 UNL1111111111 0.4927 23 C 3.1223 -1.9722 0.1949 C.3 1 UNL1111111111 -0.4527 24 C 5.7375 -0.1987 0.0373 C.3 1 UNL1111111111 -0.2641 25 C 6.9655 0.2610 0.8321 C.3 1 UNL1111111111 -0.2874 26 C 8.2998 0.0292 0.0959 C.3 1 UNL1111111111 -0.0606 27 C 8.5444 -1.4612 -0.1679 C.3 1 UNL1111111111 -0.4534 28 C 8.3612 0.8187 -1.2169 C.3 1 UNL1111111111 -0.4530 29 H -0.4352 0.9609 1.5361 H 1 UNL1111111111 0.1372 30 H -1.6092 0.9685 -1.3158 H 1 UNL1111111111 0.1405 31 H -2.4593 -0.2413 1.4055 H 1 UNL1111111111 0.1362 32 H 1.8729 -0.0050 1.7126 H 1 UNL1111111111 0.1328 33 H 0.4957 -2.3209 0.1966 H 1 UNL1111111111 0.1398 34 H -0.0815 -1.4185 1.5978 H 1 UNL1111111111 0.1373 35 H -1.9824 -2.4495 0.3876 H 1 UNL1111111111 0.1328 36 H -1.4912 -1.7006 -1.1341 H 1 UNL1111111111 0.1410 37 H 0.4708 2.6143 -0.8872 H 1 UNL1111111111 0.1369 38 H 0.2874 3.1257 0.7904 H 1 UNL1111111111 0.1321 39 H -4.5870 0.8649 1.2954 H 1 UNL1111111111 0.1411 40 H -2.0327 3.1409 -0.1786 H 1 UNL1111111111 0.1370 41 H -2.5363 2.3239 1.3020 H 1 UNL1111111111 0.1398 42 H 2.6843 2.0615 -0.3646 H 1 UNL1111111111 0.1378 43 H 2.3973 2.2555 1.3667 H 1 UNL1111111111 0.1311 44 H -3.9352 2.1298 -1.4499 H 1 UNL1111111111 0.1401 45 H -4.5330 3.0018 -0.0373 H 1 UNL1111111111 0.1369 46 H -3.9987 -2.5852 0.0907 H 1 UNL1111111111 0.1440 47 H -4.4267 -1.5890 1.4829 H 1 UNL1111111111 0.1435 48 H 1.3242 -1.0999 -1.8630 H 1 UNL1111111111 0.1442 49 H -0.2280 -0.2910 -2.0706 H 1 UNL1111111111 0.1442 50 H 1.2490 0.6652 -1.9580 H 1 UNL1111111111 0.1478 51 H 3.3202 -0.1755 -1.0056 H 1 UNL1111111111 0.1362 52 H -4.8277 -0.5800 -2.2144 H 1 UNL1111111111 0.1439 53 H -3.3648 -1.5546 -2.0887 H 1 UNL1111111111 0.1443 54 H -3.2461 0.1960 -2.2843 H 1 UNL1111111111 0.1485 55 H -6.6212 1.6737 0.1196 H 1 UNL1111111111 0.1707 56 H -6.1619 0.8493 -1.3689 H 1 UNL1111111111 0.1681 57 H -6.1054 -2.0691 -1.0631 H 1 UNL1111111111 0.1663 58 H -6.4804 -2.5839 0.5824 H 1 UNL1111111111 0.1692 59 H 4.5114 -0.4470 1.8228 H 1 UNL1111111111 0.1385 60 H 4.3689 1.1322 1.0587 H 1 UNL1111111111 0.1378 61 H 2.3730 -2.3892 -0.4860 H 1 UNL1111111111 0.1425 62 H 4.0797 -2.4451 -0.0515 H 1 UNL1111111111 0.1439 63 H 2.8586 -2.2770 1.2130 H 1 UNL1111111111 0.1432 64 H 5.6883 0.3349 -0.9298 H 1 UNL1111111111 0.1360 65 H 5.8281 -1.2719 -0.2123 H 1 UNL1111111111 0.1376 66 H 6.8681 1.3366 1.0739 H 1 UNL1111111111 0.1347 67 H 6.9940 -0.2657 1.8051 H 1 UNL1111111111 0.1342 68 H 9.1175 0.4022 0.7640 H 1 UNL1111111111 0.1243 69 H 7.8242 -1.8675 -0.8859 H 1 UNL1111111111 0.1448 70 H 9.5454 -1.6301 -0.5789 H 1 UNL1111111111 0.1408 71 H 8.4592 -2.0476 0.7529 H 1 UNL1111111111 0.1418 72 H 7.6397 0.4407 -1.9492 H 1 UNL1111111111 0.1455 73 H 9.3546 0.7504 -1.6725 H 1 UNL1111111111 0.1399 74 H 8.1417 1.8790 -1.0541 H 1 UNL1111111111 0.1417 @BOND 1 1 22 2 2 2 3 1 3 2 7 1 4 2 8 1 5 2 16 1 6 3 4 1 7 3 10 1 8 3 29 1 9 4 5 1 10 4 12 1 11 4 30 1 12 5 6 1 13 5 9 1 14 5 31 1 15 6 11 1 16 6 15 1 17 6 18 1 18 7 13 1 19 7 17 1 20 7 32 1 21 8 9 1 22 8 33 1 23 8 34 1 24 9 35 1 25 9 36 1 26 10 13 1 27 10 37 1 28 10 38 1 29 11 14 1 30 11 19 1 31 11 39 1 32 12 14 1 33 12 40 1 34 12 41 1 35 13 42 1 36 13 43 1 37 14 44 1 38 14 45 1 39 15 20 1 40 15 46 1 41 15 47 1 42 16 48 1 43 16 49 1 44 16 50 1 45 17 21 1 46 17 23 1 47 17 51 1 48 18 52 1 49 18 53 1 50 18 54 1 51 19 22 1 52 19 55 1 53 19 56 1 54 20 22 1 55 20 57 1 56 20 58 1 57 21 24 1 58 21 59 1 59 21 60 1 60 23 61 1 61 23 62 1 62 23 63 1 63 24 25 1 64 24 64 1 65 24 65 1 66 25 26 1 67 25 66 1 68 25 67 1 69 26 27 1 70 26 28 1 71 26 68 1 72 27 69 1 73 27 70 1 74 27 71 1 75 28 72 1 76 28 73 1 77 28 74 1