@MOLECULE cholesterol 74 77 0 0 0 SMALL USER_CHARGES @ATOM 1 O -7.5476 -0.8947 -1.0604 O.3 1 UNL11111111 -0.5760 2 C 0.7628 0.9343 0.3843 C.3 1 UNL11111111 0.0745 3 C 0.0809 -0.3504 0.9435 C.3 1 UNL11111111 -0.1441 4 C -1.4331 -0.1843 1.0701 C.3 1 UNL11111111 -0.1170 5 C -2.0049 0.0753 -0.3443 C.3 1 UNL11111111 -0.1323 6 C 2.2634 0.5304 0.5143 C.3 1 UNL11111111 -0.1414 7 C 0.2475 1.1013 -1.0515 C.3 1 UNL11111111 -0.2977 8 C -3.5475 0.3040 -0.2812 C.3 1 UNL11111111 0.0643 9 C 0.8764 -0.6643 2.2175 C.3 1 UNL11111111 -0.2811 10 C -1.2847 1.2403 -1.0521 C.3 1 UNL11111111 -0.2786 11 C 2.3180 -0.2210 1.8774 C.3 1 UNL11111111 -0.2770 12 C -2.0507 -1.4704 1.6441 C.3 1 UNL11111111 -0.2848 13 C 3.2957 1.6684 0.4528 C.3 1 UNL11111111 -0.0925 14 C 0.4636 2.1875 1.2133 C.3 1 UNL11111111 -0.4573 15 C -4.1979 -0.7521 0.5838 C.2 1 UNL11111111 -0.0134 16 C -4.0885 0.2107 -1.7314 C.3 1 UNL11111111 -0.2876 17 C -3.5256 -1.5224 1.4475 C.2 1 UNL11111111 -0.2022 18 C -3.8915 1.6757 0.3257 C.3 1 UNL11111111 -0.4533 19 C -5.6903 -0.8742 0.4907 C.3 1 UNL11111111 -0.3525 20 C -5.6144 0.1844 -1.8005 C.3 1 UNL11111111 -0.2988 21 C 4.7250 1.1471 0.7262 C.3 1 UNL11111111 -0.2894 22 C -6.1341 -0.9948 -0.9745 C.3 1 UNL11111111 0.1764 23 C 3.2583 2.3899 -0.9005 C.3 1 UNL11111111 -0.4513 24 C 5.1799 0.0666 -0.2622 C.3 1 UNL11111111 -0.2614 25 C 6.6147 -0.3773 0.0468 C.3 1 UNL11111111 -0.2889 26 C 7.1114 -1.5200 -0.8609 C.3 1 UNL11111111 -0.0602 27 C 7.1036 -1.1081 -2.3376 C.3 1 UNL11111111 -0.4535 28 C 6.2833 -2.7948 -0.6599 C.3 1 UNL11111111 -0.4523 29 H 0.2686 -1.1821 0.2158 H 1 UNL11111111 0.1369 30 H -1.6792 0.6682 1.7403 H 1 UNL11111111 0.1429 31 H -1.8283 -0.8508 -0.9461 H 1 UNL11111111 0.1380 32 H 2.4923 -0.1909 -0.3039 H 1 UNL11111111 0.1343 33 H 0.6971 1.9894 -1.5297 H 1 UNL11111111 0.1385 34 H 0.5521 0.2389 -1.6711 H 1 UNL11111111 0.1367 35 H 0.4820 -0.1095 3.0829 H 1 UNL11111111 0.1364 36 H 0.8275 -1.7302 2.4809 H 1 UNL11111111 0.1314 37 H -1.6385 1.3108 -2.0977 H 1 UNL11111111 0.1325 38 H -1.5561 2.2007 -0.5746 H 1 UNL11111111 0.1430 39 H 2.7150 0.4306 2.6707 H 1 UNL11111111 0.1341 40 H 2.9967 -1.0840 1.8129 H 1 UNL11111111 0.1326 41 H -1.8014 -1.5486 2.7220 H 1 UNL11111111 0.1448 42 H -1.5889 -2.3621 1.1679 H 1 UNL11111111 0.1491 43 H 3.0575 2.4121 1.2533 H 1 UNL11111111 0.1332 44 H 0.9091 3.0782 0.7585 H 1 UNL11111111 0.1424 45 H -0.6126 2.3716 1.3008 H 1 UNL11111111 0.1469 46 H 0.8589 2.0959 2.2308 H 1 UNL11111111 0.1467 47 H -3.7087 1.0650 -2.3225 H 1 UNL11111111 0.1419 48 H -3.6821 -0.6990 -2.2150 H 1 UNL11111111 0.1404 49 H -4.0339 -2.2612 2.0646 H 1 UNL11111111 0.1422 50 H -3.4320 1.7958 1.3129 H 1 UNL11111111 0.1481 51 H -4.9736 1.7950 0.4519 H 1 UNL11111111 0.1495 52 H -3.5511 2.4984 -0.3103 H 1 UNL11111111 0.1451 53 H -6.0654 -1.7366 1.0727 H 1 UNL11111111 0.1421 54 H -6.1697 0.0175 0.9488 H 1 UNL11111111 0.1668 55 H -6.0518 1.1296 -1.4267 H 1 UNL11111111 0.1567 56 H -5.9614 0.0954 -2.8470 H 1 UNL11111111 0.1494 57 H 4.7847 0.7546 1.7583 H 1 UNL11111111 0.1343 58 H 5.4292 2.0002 0.6926 H 1 UNL11111111 0.1345 59 H -5.8329 -1.9711 -1.4116 H 1 UNL11111111 0.1139 60 H 2.3522 2.9969 -1.0027 H 1 UNL11111111 0.1422 61 H 4.1151 3.0627 -1.0148 H 1 UNL11111111 0.1424 62 H 3.2814 1.6823 -1.7358 H 1 UNL11111111 0.1442 63 H 5.1155 0.4487 -1.2975 H 1 UNL11111111 0.1388 64 H 4.4983 -0.8031 -0.2142 H 1 UNL11111111 0.1391 65 H -7.9817 -1.5717 -0.5132 H 1 UNL11111111 0.3127 66 H 7.2984 0.4871 -0.0510 H 1 UNL11111111 0.1330 67 H 6.6843 -0.6993 1.1033 H 1 UNL11111111 0.1344 68 H 8.1688 -1.7427 -0.5677 H 1 UNL11111111 0.1235 69 H 7.6451 -0.1689 -2.4913 H 1 UNL11111111 0.1414 70 H 7.5773 -1.8718 -2.9631 H 1 UNL11111111 0.1400 71 H 6.0838 -0.9661 -2.7111 H 1 UNL11111111 0.1455 72 H 5.2508 -2.6638 -1.0014 H 1 UNL11111111 0.1461 73 H 6.7084 -3.6337 -1.2206 H 1 UNL11111111 0.1394 74 H 6.2479 -3.0836 0.3957 H 1 UNL11111111 0.1415 @BOND 1 70 27 1 2 56 20 1 3 71 27 1 4 69 27 1 5 27 26 1 6 47 16 1 7 48 16 1 8 37 10 1 9 20 16 1 10 20 55 1 11 20 22 1 12 62 23 1 13 16 8 1 14 34 7 1 15 33 7 1 16 59 22 1 17 63 24 1 18 73 28 1 19 1 22 1 20 1 65 1 21 10 7 1 22 10 38 1 23 10 5 1 24 7 2 1 25 61 23 1 26 60 23 1 27 72 28 1 28 22 19 1 29 31 5 1 30 23 13 1 31 26 28 1 32 26 68 1 33 26 25 1 34 28 74 1 35 5 8 1 36 5 4 1 37 52 18 1 38 32 6 1 39 8 18 1 40 8 15 1 41 24 64 1 42 24 25 1 43 24 21 1 44 66 25 1 45 25 67 1 46 29 3 1 47 18 51 1 48 18 50 1 49 2 6 1 50 2 3 1 51 2 14 1 52 13 6 1 53 13 21 1 54 13 43 1 55 19 15 1 56 19 54 1 57 19 53 1 58 6 11 1 59 15 17 2 60 58 21 1 61 21 57 1 62 44 14 1 63 3 4 1 64 3 9 1 65 4 12 1 66 4 30 1 67 42 12 1 68 14 45 1 69 14 46 1 70 17 12 1 71 17 49 1 72 12 41 1 73 40 11 1 74 11 9 1 75 11 39 1 76 9 36 1 77 9 35 1