@MOLECULE coprosterol 76 79 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.7712 1.7068 -0.6942 O.3 1 UNL1111111111 -0.5769 2 C 1.3305 -1.1603 0.5736 C.3 1 UNL1111111111 0.0768 3 C 0.0899 -2.0962 0.6963 C.3 1 UNL1111111111 -0.1379 4 C -1.2354 -1.3457 0.9144 C.3 1 UNL1111111111 -0.1192 5 C -1.4446 -0.2151 -0.1150 C.3 1 UNL1111111111 -0.1339 6 C -2.8006 0.5205 0.1057 C.3 1 UNL1111111111 0.0651 7 C 2.4237 -2.1140 -0.0142 C.3 1 UNL1111111111 -0.1453 8 C 1.0463 0.0074 -0.3839 C.3 1 UNL1111111111 -0.2924 9 C -3.9308 -0.5451 0.0524 C.3 1 UNL1111111111 -0.1165 10 C -0.2473 0.7466 -0.0329 C.3 1 UNL1111111111 -0.2757 11 C 0.1453 -2.9727 -0.5652 C.3 1 UNL1111111111 -0.2813 12 C -2.4087 -2.3401 0.8967 C.3 1 UNL1111111111 -0.2857 13 C 1.6397 -3.1221 -0.8966 C.3 1 UNL1111111111 -0.2813 14 C -3.7347 -1.6123 1.1378 C.3 1 UNL1111111111 -0.2788 15 C -3.0352 1.5016 -1.0718 C.3 1 UNL1111111111 -0.2886 16 C 1.7044 -0.6492 1.9698 C.3 1 UNL1111111111 -0.4711 17 C 3.5562 -1.4573 -0.8333 C.3 1 UNL1111111111 -0.0916 18 C -5.3211 0.0920 0.1679 C.3 1 UNL1111111111 -0.3166 19 C -2.7981 1.2968 1.4280 C.3 1 UNL1111111111 -0.4581 20 C -4.4186 2.1548 -1.0125 C.3 1 UNL1111111111 -0.3348 21 C -5.5225 1.0900 -0.9786 C.3 1 UNL1111111111 0.1695 22 C 4.3738 -0.4494 -0.0041 C.3 1 UNL1111111111 -0.2962 23 C 4.5092 -2.5385 -1.3713 C.3 1 UNL1111111111 -0.4533 24 C 4.9992 0.6331 -0.8949 C.3 1 UNL1111111111 -0.2674 25 C 5.4413 1.8537 -0.0757 C.3 1 UNL1111111111 -0.2905 26 C 4.2517 2.7119 0.3989 C.3 1 UNL1111111111 -0.0552 27 C 3.6256 3.4868 -0.7666 C.3 1 UNL1111111111 -0.4532 28 C 4.7206 3.6909 1.4839 C.3 1 UNL1111111111 -0.4598 29 H 0.2450 -2.7587 1.5830 H 1 UNL1111111111 0.1313 30 H -1.1902 -0.8809 1.9312 H 1 UNL1111111111 0.1362 31 H -1.4668 -0.6676 -1.1346 H 1 UNL1111111111 0.1347 32 H 2.8879 -2.6628 0.8361 H 1 UNL1111111111 0.1344 33 H 0.9778 -0.3773 -1.4205 H 1 UNL1111111111 0.1423 34 H 1.8946 0.7182 -0.3782 H 1 UNL1111111111 0.1414 35 H -3.8665 -1.0528 -0.9438 H 1 UNL1111111111 0.1340 36 H -0.1707 1.1861 0.9783 H 1 UNL1111111111 0.1408 37 H -0.3855 1.5967 -0.7247 H 1 UNL1111111111 0.1316 38 H -0.3943 -2.4958 -1.4007 H 1 UNL1111111111 0.1385 39 H -0.3345 -3.9489 -0.4015 H 1 UNL1111111111 0.1304 40 H -2.2541 -3.1179 1.6662 H 1 UNL1111111111 0.1335 41 H -2.4461 -2.8731 -0.0714 H 1 UNL1111111111 0.1390 42 H 1.9891 -4.1482 -0.7052 H 1 UNL1111111111 0.1308 43 H 1.8106 -2.9329 -1.9686 H 1 UNL1111111111 0.1351 44 H -4.5723 -2.3333 1.1213 H 1 UNL1111111111 0.1346 45 H -3.7509 -1.1539 2.1426 H 1 UNL1111111111 0.1410 46 H -2.9137 0.9657 -2.0317 H 1 UNL1111111111 0.1361 47 H -2.2586 2.2891 -1.0652 H 1 UNL1111111111 0.1399 48 H 2.0083 -1.4665 2.6316 H 1 UNL1111111111 0.1432 49 H 0.8551 -0.1410 2.4415 H 1 UNL1111111111 0.1502 50 H 2.5294 0.0721 1.9368 H 1 UNL1111111111 0.1460 51 H 3.1000 -0.9266 -1.7031 H 1 UNL1111111111 0.1344 52 H -6.1125 -0.6795 0.1361 H 1 UNL1111111111 0.1484 53 H -5.4544 0.6028 1.1400 H 1 UNL1111111111 0.1585 54 H -3.7925 1.6928 1.6640 H 1 UNL1111111111 0.1501 55 H -2.1120 2.1490 1.3905 H 1 UNL1111111111 0.1423 56 H -2.4947 0.6628 2.2681 H 1 UNL1111111111 0.1457 57 H -4.5027 2.7976 -0.1146 H 1 UNL1111111111 0.1568 58 H -4.5588 2.8258 -1.8781 H 1 UNL1111111111 0.1321 59 H -5.6189 0.5705 -1.9571 H 1 UNL1111111111 0.1089 60 H 3.7293 0.0314 0.7569 H 1 UNL1111111111 0.1489 61 H 5.1575 -0.9702 0.5740 H 1 UNL1111111111 0.1381 62 H 4.9013 -3.1639 -0.5627 H 1 UNL1111111111 0.1424 63 H 4.0137 -3.1994 -2.0886 H 1 UNL1111111111 0.1397 64 H 5.3646 -2.0846 -1.8830 H 1 UNL1111111111 0.1429 65 H 4.2832 0.9482 -1.6771 H 1 UNL1111111111 0.1376 66 H 5.8663 0.2145 -1.4384 H 1 UNL1111111111 0.1318 67 H -6.9535 2.4299 -1.3195 H 1 UNL1111111111 0.3113 68 H 6.1286 2.4759 -0.6768 H 1 UNL1111111111 0.1348 69 H 6.0309 1.5176 0.7977 H 1 UNL1111111111 0.1369 70 H 3.4730 2.0419 0.8392 H 1 UNL1111111111 0.1320 71 H 3.2617 2.8099 -1.5474 H 1 UNL1111111111 0.1436 72 H 2.7742 4.0873 -0.4299 H 1 UNL1111111111 0.1409 73 H 4.3475 4.1667 -1.2299 H 1 UNL1111111111 0.1412 74 H 5.1226 3.1612 2.3537 H 1 UNL1111111111 0.1408 75 H 3.8949 4.3194 1.8338 H 1 UNL1111111111 0.1423 76 H 5.5046 4.3573 1.1102 H 1 UNL1111111111 0.1426 @BOND 1 1 21 1 2 1 67 1 3 2 3 1 4 2 7 1 5 2 8 1 6 2 16 1 7 3 4 1 8 3 11 1 9 3 29 1 10 4 5 1 11 4 12 1 12 4 30 1 13 5 6 1 14 5 10 1 15 5 31 1 16 6 9 1 17 6 15 1 18 6 19 1 19 7 13 1 20 7 17 1 21 7 32 1 22 8 10 1 23 8 33 1 24 8 34 1 25 9 14 1 26 9 18 1 27 9 35 1 28 10 36 1 29 10 37 1 30 11 13 1 31 11 38 1 32 11 39 1 33 12 14 1 34 12 40 1 35 12 41 1 36 13 42 1 37 13 43 1 38 14 44 1 39 14 45 1 40 15 20 1 41 15 46 1 42 15 47 1 43 16 48 1 44 16 49 1 45 16 50 1 46 17 22 1 47 17 23 1 48 17 51 1 49 18 21 1 50 18 52 1 51 18 53 1 52 19 54 1 53 19 55 1 54 19 56 1 55 20 21 1 56 20 57 1 57 20 58 1 58 21 59 1 59 22 24 1 60 22 60 1 61 22 61 1 62 23 62 1 63 23 63 1 64 23 64 1 65 24 25 1 66 24 65 1 67 24 66 1 68 25 26 1 69 25 68 1 70 25 69 1 71 26 27 1 72 26 28 1 73 26 70 1 74 27 71 1 75 27 72 1 76 27 73 1 77 28 74 1 78 28 75 1 79 28 76 1