@MOLECULE lanosterin 81 84 0 0 0 SMALL USER_CHARGES @ATOM 1 O -6.3794 -1.2345 0.2614 O.3 1 UNL11111111 -0.5687 2 C 1.1631 -0.7549 -0.3257 C.3 1 UNL11111111 0.0707 3 C 0.5831 0.6894 -0.1091 C.3 1 UNL11111111 0.0478 4 C 2.6924 -0.4777 -0.3480 C.3 1 UNL11111111 -0.1398 5 C -3.0920 -0.5327 0.2119 C.3 1 UNL11111111 0.0709 6 C -0.9115 0.6307 -0.2517 C.2 1 UNL11111111 -0.0435 7 C -3.7063 0.8727 -0.0283 C.3 1 UNL11111111 -0.1378 8 C -1.5761 -0.3997 0.3004 C.2 1 UNL11111111 -0.0742 9 C 1.3993 1.5176 -1.1235 C.3 1 UNL11111111 -0.2883 10 C 0.6605 -1.6405 0.8134 C.3 1 UNL11111111 -0.2920 11 C 2.7999 0.8647 -1.1280 C.3 1 UNL11111111 -0.2767 12 C -0.8717 -1.5363 0.9955 C.3 1 UNL11111111 -0.2668 13 C -5.2546 0.9258 -0.1151 C.3 1 UNL11111111 0.0354 14 C -1.5620 1.7806 -0.9468 C.3 1 UNL11111111 -0.2801 15 C -3.0430 1.5282 -1.2468 C.3 1 UNL11111111 -0.2736 16 C -3.6698 -1.1099 1.5323 C.3 1 UNL11111111 -0.2931 17 C 3.5924 -1.5629 -0.9659 C.3 1 UNL11111111 -0.0919 18 C 0.7035 -1.3490 -1.6666 C.3 1 UNL11111111 -0.4609 19 C 0.8582 1.2637 1.2988 C.3 1 UNL11111111 -0.4505 20 C -5.9076 -0.0673 0.8890 C.3 1 UNL11111111 0.1441 21 C -4.9494 -0.4276 2.0272 C.3 1 UNL11111111 -0.3312 22 C -3.3493 -1.5117 -0.9509 C.3 1 UNL11111111 -0.4565 23 C -5.6994 2.3446 0.3104 C.3 1 UNL11111111 -0.4679 24 C -5.8048 0.6636 -1.5202 C.3 1 UNL11111111 -0.4503 25 C 5.0706 -1.1137 -0.9618 C.3 1 UNL11111111 -0.2794 26 C 3.4580 -2.9046 -0.2362 C.3 1 UNL11111111 -0.4505 27 C 5.6781 -1.0124 0.4482 C.3 1 UNL11111111 -0.2607 28 C 6.9209 -0.1846 0.4018 C.2 1 UNL11111111 -0.2285 29 C 6.9919 1.1177 0.7053 C.2 1 UNL11111111 0.0473 30 C 8.2885 1.8605 0.6180 C.3 1 UNL11111111 -0.4588 31 C 5.8372 1.9546 1.1466 C.3 1 UNL11111111 -0.4542 32 H 3.0263 -0.3162 0.7037 H 1 UNL11111111 0.1336 33 H -3.4155 1.4787 0.8736 H 1 UNL11111111 0.1457 34 H 1.4449 2.5807 -0.8501 H 1 UNL11111111 0.1350 35 H 0.9481 1.4728 -2.1280 H 1 UNL11111111 0.1371 36 H 1.1699 -1.3698 1.7566 H 1 UNL11111111 0.1372 37 H 0.9313 -2.6963 0.6299 H 1 UNL11111111 0.1384 38 H 3.1393 0.6953 -2.1623 H 1 UNL11111111 0.1354 39 H 3.5468 1.5233 -0.6597 H 1 UNL11111111 0.1324 40 H -1.0780 -1.4693 2.0857 H 1 UNL11111111 0.1410 41 H -1.3263 -2.4931 0.6621 H 1 UNL11111111 0.1431 42 H -1.4515 2.6888 -0.3161 H 1 UNL11111111 0.1470 43 H -1.0331 2.0100 -1.8947 H 1 UNL11111111 0.1470 44 H -3.5435 2.4803 -1.4991 H 1 UNL11111111 0.1360 45 H -3.1475 0.8850 -2.1399 H 1 UNL11111111 0.1432 46 H -2.9176 -1.0225 2.3421 H 1 UNL11111111 0.1437 47 H -3.8499 -2.1945 1.4157 H 1 UNL11111111 0.1393 48 H 3.2908 -1.7106 -2.0325 H 1 UNL11111111 0.1344 49 H -0.3907 -1.3860 -1.7321 H 1 UNL11111111 0.1554 50 H 1.0607 -0.7588 -2.5157 H 1 UNL11111111 0.1450 51 H 1.0693 -2.3722 -1.7928 H 1 UNL11111111 0.1412 52 H 0.3687 0.6714 2.0784 H 1 UNL11111111 0.1491 53 H 1.9278 1.2995 1.5219 H 1 UNL11111111 0.1443 54 H 0.4666 2.2838 1.3754 H 1 UNL11111111 0.1416 55 H -6.8624 0.3516 1.2890 H 1 UNL11111111 0.1347 56 H -5.4682 -1.0960 2.7421 H 1 UNL11111111 0.1486 57 H -4.6979 0.4878 2.5958 H 1 UNL11111111 0.1438 58 H -2.9052 -2.4933 -0.7519 H 1 UNL11111111 0.1453 59 H -4.4180 -1.6598 -1.1409 H 1 UNL11111111 0.1405 60 H -2.9001 -1.1404 -1.8809 H 1 UNL11111111 0.1553 61 H -6.7812 2.4718 0.1959 H 1 UNL11111111 0.1469 62 H -5.2171 3.1128 -0.3028 H 1 UNL11111111 0.1472 63 H -5.4465 2.5519 1.3547 H 1 UNL11111111 0.1413 64 H -6.8903 0.4963 -1.4875 H 1 UNL11111111 0.1566 65 H -5.3649 -0.2267 -1.9792 H 1 UNL11111111 0.1471 66 H -5.6192 1.5061 -2.1934 H 1 UNL11111111 0.1403 67 H 5.1645 -0.1368 -1.4732 H 1 UNL11111111 0.1421 68 H 5.6685 -1.8196 -1.5676 H 1 UNL11111111 0.1338 69 H 3.5353 -2.7828 0.8492 H 1 UNL11111111 0.1440 70 H 2.4953 -3.3812 -0.4503 H 1 UNL11111111 0.1419 71 H 4.2421 -3.6034 -0.5476 H 1 UNL11111111 0.1421 72 H -5.6396 -1.7714 -0.0928 H 1 UNL11111111 0.3183 73 H 5.9047 -2.0253 0.8365 H 1 UNL11111111 0.1391 74 H 4.9386 -0.5928 1.1586 H 1 UNL11111111 0.1432 75 H 7.8041 -0.7306 0.0756 H 1 UNL11111111 0.1426 76 H 9.1241 1.2215 0.3052 H 1 UNL11111111 0.1495 77 H 8.2246 2.6851 -0.1055 H 1 UNL11111111 0.1536 78 H 8.5620 2.2970 1.5884 H 1 UNL11111111 0.1530 79 H 5.6887 2.8107 0.4736 H 1 UNL11111111 0.1531 80 H 4.8895 1.3989 1.1704 H 1 UNL11111111 0.1568 81 H 6.0023 2.3559 2.1564 H 1 UNL11111111 0.1532 @BOND 1 50 18 1 2 66 24 1 3 38 11 1 4 45 15 1 5 35 9 1 6 48 17 1 7 65 24 1 8 43 14 1 9 60 22 1 10 51 18 1 11 49 18 1 12 18 2 1 13 68 25 1 14 24 64 1 15 24 13 1 16 44 15 1 17 67 25 1 18 15 14 1 19 15 7 1 20 59 22 1 21 11 9 1 22 11 39 1 23 11 4 1 24 9 34 1 25 9 3 1 26 17 25 1 27 17 4 1 28 17 26 1 29 25 27 1 30 22 58 1 31 22 5 1 32 14 42 1 33 14 6 1 34 71 26 1 35 70 26 1 36 4 2 1 37 4 32 1 38 2 3 1 39 2 10 1 40 62 23 1 41 6 3 1 42 6 8 2 43 26 69 1 44 13 7 1 45 13 23 1 46 13 20 1 47 3 19 1 48 77 30 1 49 72 1 1 50 7 5 1 51 7 33 1 52 75 28 1 53 61 23 1 54 5 8 1 55 5 16 1 56 1 20 1 57 8 12 1 58 76 30 1 59 23 63 1 60 28 27 1 61 28 29 2 62 27 73 1 63 27 74 1 64 79 31 1 65 30 29 1 66 30 78 1 67 37 10 1 68 41 12 1 69 29 31 1 70 10 12 1 71 10 36 1 72 20 55 1 73 20 21 1 74 12 40 1 75 31 80 1 76 31 81 1 77 19 54 1 78 19 53 1 79 19 52 1 80 47 16 1 81 16 21 1 82 16 46 1 83 21 57 1 84 21 56 1