@MOLECULE zymosterol 72 75 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.6422 0.3417 0.6438 O.3 1 UNL1111111111 -0.5769 2 C 0.7542 -0.6311 -0.3452 C.3 1 UNL1111111111 0.0829 3 C 0.1825 0.7685 0.0484 C.3 1 UNL1111111111 -0.1474 4 C 2.2832 -0.3745 -0.2021 C.3 1 UNL1111111111 -0.1409 5 C -3.5200 -0.3308 -0.0052 C.3 1 UNL1111111111 0.0719 6 C -1.2986 0.8032 -0.1424 C.2 1 UNL1111111111 -0.0334 7 C -2.0163 -0.2854 0.1859 C.2 1 UNL1111111111 -0.0799 8 C 0.1606 -1.6202 0.6622 C.3 1 UNL1111111111 -0.2970 9 C 1.0758 1.7535 -0.7173 C.3 1 UNL1111111111 -0.2748 10 C 2.4647 1.0764 -0.7337 C.3 1 UNL1111111111 -0.2770 11 C -4.0726 1.1191 0.0806 C.3 1 UNL1111111111 -0.1129 12 C -1.3830 -1.5576 0.6792 C.3 1 UNL1111111111 -0.2677 13 C -1.8762 2.0955 -0.6219 C.3 1 UNL1111111111 -0.2753 14 C 3.2138 -1.3659 -0.9218 C.3 1 UNL1111111111 -0.0917 15 C -3.3723 2.0130 -0.9476 C.3 1 UNL1111111111 -0.2771 16 C 0.3808 -1.0328 -1.7745 C.3 1 UNL1111111111 -0.4583 17 C -4.2187 -1.1542 1.1047 C.3 1 UNL1111111111 -0.2833 18 C -5.5922 1.1654 -0.1039 C.3 1 UNL1111111111 -0.3154 19 C -3.7749 -0.9806 -1.3777 C.3 1 UNL1111111111 -0.4532 20 C -5.7452 -1.1260 0.9752 C.3 1 UNL1111111111 -0.3340 21 C -6.2622 0.3188 0.9838 C.3 1 UNL1111111111 0.1696 22 C 4.6927 -0.9363 -0.8088 C.3 1 UNL1111111111 -0.2769 23 C 3.0449 -2.7901 -0.3778 C.3 1 UNL1111111111 -0.4510 24 C 5.2070 -0.8608 0.6383 C.3 1 UNL1111111111 -0.2612 25 C 6.6288 -0.4011 0.6394 C.2 1 UNL1111111111 -0.2339 26 C 7.0122 0.8754 0.7745 C.2 1 UNL1111111111 0.0494 27 C 8.4567 1.2589 0.7536 C.3 1 UNL1111111111 -0.4573 28 C 6.0530 2.0068 0.9487 C.3 1 UNL1111111111 -0.4531 29 H 0.3687 0.9278 1.1456 H 1 UNL1111111111 0.1474 30 H 2.5310 -0.3923 0.8843 H 1 UNL1111111111 0.1339 31 H 0.5530 -1.4062 1.6735 H 1 UNL1111111111 0.1359 32 H 0.4812 -2.6516 0.4317 H 1 UNL1111111111 0.1396 33 H 1.1058 2.7410 -0.2358 H 1 UNL1111111111 0.1315 34 H 0.7093 1.9127 -1.7446 H 1 UNL1111111111 0.1382 35 H 2.8758 1.0739 -1.7552 H 1 UNL1111111111 0.1361 36 H 3.1828 1.6256 -0.1070 H 1 UNL1111111111 0.1305 37 H -3.8304 1.5078 1.1026 H 1 UNL1111111111 0.1397 38 H -1.7216 -1.7475 1.7196 H 1 UNL1111111111 0.1426 39 H -1.7727 -2.4010 0.0696 H 1 UNL1111111111 0.1445 40 H -1.7040 2.8704 0.1559 H 1 UNL1111111111 0.1468 41 H -1.3283 2.4480 -1.5206 H 1 UNL1111111111 0.1465 42 H 2.9547 -1.3724 -2.0101 H 1 UNL1111111111 0.1349 43 H -3.8165 3.0248 -0.9490 H 1 UNL1111111111 0.1362 44 H -3.5229 1.6168 -1.9685 H 1 UNL1111111111 0.1430 45 H -0.7065 -1.0067 -1.9220 H 1 UNL1111111111 0.1558 46 H 0.8218 -0.3522 -2.5100 H 1 UNL1111111111 0.1456 47 H 0.7168 -2.0477 -2.0066 H 1 UNL1111111111 0.1412 48 H -3.9161 -0.7620 2.0939 H 1 UNL1111111111 0.1395 49 H -3.8763 -2.2051 1.0711 H 1 UNL1111111111 0.1393 50 H -5.9655 2.2050 -0.0515 H 1 UNL1111111111 0.1488 51 H -5.8915 0.7997 -1.1039 H 1 UNL1111111111 0.1589 52 H -4.8299 -0.9218 -1.6634 H 1 UNL1111111111 0.1502 53 H -3.1894 -0.4876 -2.1623 H 1 UNL1111111111 0.1495 54 H -3.4899 -2.0374 -1.3740 H 1 UNL1111111111 0.1415 55 H -6.0603 -1.6232 0.0372 H 1 UNL1111111111 0.1570 56 H -6.2054 -1.7057 1.7942 H 1 UNL1111111111 0.1325 57 H -6.1550 0.7840 1.9876 H 1 UNL1111111111 0.1097 58 H 4.8371 0.0449 -1.2988 H 1 UNL1111111111 0.1370 59 H 5.3202 -1.6449 -1.3826 H 1 UNL1111111111 0.1364 60 H 3.0782 -2.8110 0.7164 H 1 UNL1111111111 0.1437 61 H 2.0895 -3.2252 -0.6906 H 1 UNL1111111111 0.1420 62 H 3.8381 -3.4508 -0.7447 H 1 UNL1111111111 0.1426 63 H 5.1231 -1.8537 1.1231 H 1 UNL1111111111 0.1405 64 H 4.5655 -0.1855 1.2380 H 1 UNL1111111111 0.1424 65 H -8.1540 -0.2548 1.2163 H 1 UNL1111111111 0.3113 66 H 7.3577 -1.1967 0.5049 H 1 UNL1111111111 0.1433 67 H 9.1245 0.3961 0.6348 H 1 UNL1111111111 0.1501 68 H 8.6700 1.9487 -0.0752 H 1 UNL1111111111 0.1544 69 H 8.7458 1.7649 1.6855 H 1 UNL1111111111 0.1540 70 H 5.3744 2.0853 0.0862 H 1 UNL1111111111 0.1573 71 H 5.4283 1.8663 1.8431 H 1 UNL1111111111 0.1560 72 H 6.5540 2.9765 1.0555 H 1 UNL1111111111 0.1480 @BOND 1 1 21 1 2 1 65 1 3 2 3 1 4 2 4 1 5 2 8 1 6 2 16 1 7 3 6 1 8 3 9 1 9 3 29 1 10 4 10 1 11 4 14 1 12 4 30 1 13 5 7 1 14 5 11 1 15 5 17 1 16 5 19 1 17 6 7 2 18 6 13 1 19 7 12 1 20 8 12 1 21 8 31 1 22 8 32 1 23 9 10 1 24 9 33 1 25 9 34 1 26 10 35 1 27 10 36 1 28 11 15 1 29 11 18 1 30 11 37 1 31 12 38 1 32 12 39 1 33 13 15 1 34 13 40 1 35 13 41 1 36 14 22 1 37 14 23 1 38 14 42 1 39 15 43 1 40 15 44 1 41 16 45 1 42 16 46 1 43 16 47 1 44 17 20 1 45 17 48 1 46 17 49 1 47 18 21 1 48 18 50 1 49 18 51 1 50 19 52 1 51 19 53 1 52 19 54 1 53 20 21 1 54 20 55 1 55 20 56 1 56 21 57 1 57 22 24 1 58 22 58 1 59 22 59 1 60 23 60 1 61 23 61 1 62 23 62 1 63 24 25 1 64 24 63 1 65 24 64 1 66 25 26 2 67 25 66 1 68 26 27 1 69 26 28 1 70 27 67 1 71 27 68 1 72 27 69 1 73 28 70 1 74 28 71 1 75 28 72 1