@MOLECULE lanosterin 81 84 0 0 0 SMALL USER_CHARGES @ATOM 1 O -5.2421 -2.1611 -1.1035 O.3 1 UNL111111111 -0.5686 2 C 1.6042 0.9980 -0.2443 C.3 1 UNL111111111 0.0709 3 C 0.5899 1.7141 0.7185 C.3 1 UNL111111111 0.0496 4 C 2.9396 1.7066 0.1177 C.3 1 UNL111111111 -0.1389 5 C -2.4050 -0.5586 -0.2738 C.3 1 UNL111111111 0.0694 6 C -0.8023 1.2706 0.3656 C.2 1 UNL111111111 -0.0425 7 C -3.4767 0.3973 0.3154 C.3 1 UNL111111111 -0.1386 8 C -1.0206 -0.0231 0.0733 C.2 1 UNL111111111 -0.0720 9 C 0.9744 3.1973 0.5387 C.3 1 UNL111111111 -0.2913 10 C 1.5401 -0.4991 0.0486 C.3 1 UNL111111111 -0.2987 11 C 2.5091 3.1847 0.3516 C.3 1 UNL111111111 -0.2747 12 C 0.0930 -1.0361 -0.0066 C.3 1 UNL111111111 -0.2626 13 C -4.9532 -0.0150 0.0750 C.3 1 UNL111111111 0.0356 14 C -1.8702 2.3116 0.4412 C.3 1 UNL111111111 -0.2816 15 C -3.2019 1.8345 -0.1470 C.3 1 UNL111111111 -0.2734 16 C -2.6134 -1.9727 0.3309 C.3 1 UNL111111111 -0.2925 17 C 4.0826 1.6146 -0.9096 C.3 1 UNL111111111 -0.0911 18 C 1.2470 1.2436 -1.7192 C.3 1 UNL111111111 -0.4602 19 C 0.7862 1.3518 2.2080 C.3 1 UNL111111111 -0.4513 20 C -5.1264 -1.5589 0.1636 C.3 1 UNL111111111 0.1437 21 C -3.9910 -2.2076 0.9592 C.3 1 UNL111111111 -0.3323 22 C -2.4411 -0.6293 -1.8138 C.3 1 UNL111111111 -0.4571 23 C -5.8012 0.5933 1.2164 C.3 1 UNL111111111 -0.4680 24 C -5.5274 0.4859 -1.2537 C.3 1 UNL111111111 -0.4503 25 C 4.4884 0.1661 -1.2414 C.3 1 UNL111111111 -0.2797 26 C 5.3073 2.3900 -0.3978 C.3 1 UNL111111111 -0.4531 27 C 5.0103 -0.6272 -0.0322 C.3 1 UNL111111111 -0.2636 28 C 5.0815 -2.0798 -0.3711 C.2 1 UNL111111111 -0.2269 29 C 4.5508 -3.0741 0.3518 C.2 1 UNL111111111 0.0436 30 C 4.6699 -4.4974 -0.0953 C.3 1 UNL111111111 -0.4586 31 C 3.8006 -2.8897 1.6293 C.3 1 UNL111111111 -0.4521 32 H 3.3092 1.2824 1.0799 H 1 UNL111111111 0.1340 33 H -3.3142 0.3706 1.4280 H 1 UNL111111111 0.1456 34 H 0.6728 3.8123 1.3975 H 1 UNL111111111 0.1342 35 H 0.4800 3.6316 -0.3454 H 1 UNL111111111 0.1373 36 H 1.9819 -0.7074 1.0408 H 1 UNL111111111 0.1371 37 H 2.1681 -1.0648 -0.6663 H 1 UNL111111111 0.1478 38 H 2.7948 3.8203 -0.5004 H 1 UNL111111111 0.1338 39 H 3.0192 3.5967 1.2343 H 1 UNL111111111 0.1299 40 H -0.0262 -1.7690 0.8200 H 1 UNL111111111 0.1390 41 H -0.0254 -1.6184 -0.9450 H 1 UNL111111111 0.1443 42 H -2.0077 2.6067 1.5039 H 1 UNL111111111 0.1469 43 H -1.5499 3.2346 -0.0848 H 1 UNL111111111 0.1470 44 H -4.0170 2.5097 0.1698 H 1 UNL111111111 0.1358 45 H -3.1742 1.8902 -1.2503 H 1 UNL111111111 0.1430 46 H -1.8567 -2.1580 1.1201 H 1 UNL111111111 0.1442 47 H -2.4238 -2.7388 -0.4435 H 1 UNL111111111 0.1394 48 H 3.7412 2.0916 -1.8623 H 1 UNL111111111 0.1340 49 H 0.2216 0.9231 -1.9402 H 1 UNL111111111 0.1568 50 H 1.3204 2.3027 -1.9831 H 1 UNL111111111 0.1435 51 H 1.9104 0.6850 -2.3863 H 1 UNL111111111 0.1416 52 H 0.5890 0.2910 2.3939 H 1 UNL111111111 0.1500 53 H 1.8002 1.5745 2.5501 H 1 UNL111111111 0.1442 54 H 0.0907 1.9231 2.8321 H 1 UNL111111111 0.1411 55 H -6.1200 -1.8163 0.6035 H 1 UNL111111111 0.1346 56 H -4.1776 -3.2968 1.0365 H 1 UNL111111111 0.1484 57 H -4.0072 -1.8230 1.9966 H 1 UNL111111111 0.1438 58 H -1.6819 -1.3185 -2.2001 H 1 UNL111111111 0.1458 59 H -3.4151 -0.9583 -2.1923 H 1 UNL111111111 0.1403 60 H -2.2345 0.3542 -2.2549 H 1 UNL111111111 0.1552 61 H -6.8687 0.4031 1.0618 H 1 UNL111111111 0.1469 62 H -5.6713 1.6792 1.2724 H 1 UNL111111111 0.1473 63 H -5.5250 0.1792 2.1908 H 1 UNL111111111 0.1412 64 H -6.4839 -0.0075 -1.4743 H 1 UNL111111111 0.1565 65 H -4.8647 0.2750 -2.0983 H 1 UNL111111111 0.1472 66 H -5.7066 1.5653 -1.2381 H 1 UNL111111111 0.1403 67 H 5.2611 0.1788 -2.0335 H 1 UNL111111111 0.1337 68 H 3.6226 -0.3649 -1.6843 H 1 UNL111111111 0.1443 69 H 5.6174 2.0421 0.5927 H 1 UNL111111111 0.1437 70 H 6.1606 2.2685 -1.0731 H 1 UNL111111111 0.1415 71 H 5.1008 3.4620 -0.3203 H 1 UNL111111111 0.1393 72 H -4.4027 -2.0904 -1.6069 H 1 UNL111111111 0.3182 73 H 4.3636 -0.4412 0.8473 H 1 UNL111111111 0.1445 74 H 6.0164 -0.2607 0.2581 H 1 UNL111111111 0.1432 75 H 5.6200 -2.2902 -1.2944 H 1 UNL111111111 0.1439 76 H 5.0867 -4.5924 -1.1060 H 1 UNL111111111 0.1495 77 H 5.3251 -5.0677 0.5779 H 1 UNL111111111 0.1527 78 H 3.6915 -4.9970 -0.1016 H 1 UNL111111111 0.1532 79 H 3.9548 -3.7287 2.3204 H 1 UNL111111111 0.1491 80 H 4.0989 -1.9798 2.1669 H 1 UNL111111111 0.1530 81 H 2.7189 -2.8211 1.4363 H 1 UNL111111111 0.1594 @BOND 1 51 18 1 2 60 22 1 3 58 22 1 4 59 22 1 5 65 24 1 6 67 25 1 7 50 18 1 8 49 18 1 9 48 17 1 10 22 5 1 11 18 2 1 12 68 25 1 13 72 1 1 14 64 24 1 15 75 28 1 16 24 66 1 17 24 13 1 18 45 15 1 19 25 17 1 20 25 27 1 21 76 30 1 22 1 20 1 23 70 26 1 24 41 12 1 25 17 26 1 26 17 4 1 27 37 10 1 28 38 11 1 29 47 16 1 30 26 71 1 31 26 69 1 32 28 27 1 33 28 29 2 34 35 9 1 35 5 8 1 36 5 7 1 37 5 16 1 38 2 10 1 39 2 4 1 40 2 3 1 41 15 44 1 42 15 7 1 43 15 14 1 44 78 30 1 45 30 29 1 46 30 77 1 47 43 14 1 48 27 74 1 49 27 73 1 50 12 10 1 51 12 8 1 52 12 40 1 53 10 36 1 54 8 6 2 55 13 20 1 56 13 7 1 57 13 23 1 58 4 11 1 59 4 32 1 60 20 55 1 61 20 21 1 62 7 33 1 63 16 21 1 64 16 46 1 65 11 9 1 66 11 39 1 67 29 31 1 68 6 14 1 69 6 3 1 70 14 42 1 71 9 3 1 72 9 34 1 73 3 19 1 74 21 56 1 75 21 57 1 76 61 23 1 77 23 62 1 78 23 63 1 79 81 31 1 80 31 80 1 81 31 79 1 82 19 52 1 83 19 53 1 84 19 54 1