@MOLECULE 5alpha-cholestane-3alpha,7alpha,25-triol 78 81 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.9136 2.3077 1.2407 O.3 1 UNL1111111111 -0.5545 2 O 6.3398 2.0040 -1.7115 O.3 1 UNL1111111111 -0.5610 3 O -8.1264 1.4773 -0.3039 O.3 1 UNL1111111111 -0.5882 4 C 0.2085 0.0499 0.9598 C.3 1 UNL1111111111 -0.1271 5 C -0.4581 -1.2022 0.3118 C.3 1 UNL1111111111 0.0661 6 C 1.7226 -0.1151 1.0640 C.3 1 UNL1111111111 -0.1875 7 C 2.2872 -0.2441 -0.3729 C.3 1 UNL1111111111 -0.1340 8 C 3.8382 -0.3950 -0.3416 C.3 1 UNL1111111111 0.0578 9 C -1.9616 -0.8180 0.4609 C.3 1 UNL1111111111 -0.1419 10 C 4.4120 0.8625 0.3693 C.3 1 UNL1111111111 -0.1054 11 C 0.0664 -1.2821 -1.1278 C.3 1 UNL1111111111 -0.2958 12 C 1.6017 -1.3976 -1.1316 C.3 1 UNL1111111111 -0.2757 13 C -0.5910 0.2620 2.2517 C.3 1 UNL1111111111 -0.2833 14 C 2.3424 1.0862 1.8001 C.3 1 UNL1111111111 0.1491 15 C -2.0281 -0.1640 1.8734 C.3 1 UNL1111111111 -0.2759 16 C 3.8747 1.0074 1.7984 C.3 1 UNL1111111111 -0.3521 17 C 4.3799 -0.3890 -1.7915 C.3 1 UNL1111111111 -0.2901 18 C -0.1566 -2.5052 1.0612 C.3 1 UNL1111111111 -0.4571 19 C -2.9868 -1.9546 0.3138 C.3 1 UNL1111111111 -0.0928 20 C 5.9465 0.8601 0.3838 C.3 1 UNL1111111111 -0.3471 21 C 4.2541 -1.6938 0.3573 C.3 1 UNL1111111111 -0.4544 22 C 5.9099 -0.3695 -1.8507 C.3 1 UNL1111111111 -0.3288 23 C 6.5205 0.7783 -1.0364 C.3 1 UNL1111111111 0.1674 24 C -4.4196 -1.4622 0.6199 C.3 1 UNL1111111111 -0.2828 25 C -2.9404 -2.5783 -1.0871 C.3 1 UNL1111111111 -0.4524 26 C -4.8815 -0.3236 -0.2980 C.3 1 UNL1111111111 -0.2610 27 C -6.3079 0.1005 0.0562 C.3 1 UNL1111111111 -0.3153 28 C -6.7757 1.3378 -0.7323 C.3 1 UNL1111111111 0.3567 29 C -6.7673 1.1190 -2.2490 C.3 1 UNL1111111111 -0.5108 30 C -6.0108 2.6093 -0.3487 C.3 1 UNL1111111111 -0.5099 31 H 0.0126 0.9362 0.3009 H 1 UNL1111111111 0.1477 32 H 1.9640 -1.0355 1.6431 H 1 UNL1111111111 0.1489 33 H 2.0469 0.6994 -0.9224 H 1 UNL1111111111 0.1290 34 H -2.1897 -0.0427 -0.3064 H 1 UNL1111111111 0.1350 35 H 4.0816 1.7598 -0.2145 H 1 UNL1111111111 0.1235 36 H -0.3683 -2.1487 -1.6565 H 1 UNL1111111111 0.1386 37 H -0.2485 -0.3908 -1.6999 H 1 UNL1111111111 0.1375 38 H 1.9553 -1.4183 -2.1793 H 1 UNL1111111111 0.1332 39 H 1.8977 -2.3685 -0.6932 H 1 UNL1111111111 0.1416 40 H -0.5483 1.3108 2.5850 H 1 UNL1111111111 0.1444 41 H -0.1971 -0.3477 3.0783 H 1 UNL1111111111 0.1322 42 H 1.9432 1.1664 2.8384 H 1 UNL1111111111 0.1406 43 H -2.4262 -0.8705 2.6174 H 1 UNL1111111111 0.1333 44 H -2.7094 0.6998 1.8642 H 1 UNL1111111111 0.1356 45 H 4.2853 1.9243 2.2647 H 1 UNL1111111111 0.1564 46 H 4.2117 0.1668 2.4298 H 1 UNL1111111111 0.1494 47 H 4.0108 -1.2814 -2.3325 H 1 UNL1111111111 0.1416 48 H 3.9731 0.4803 -2.3404 H 1 UNL1111111111 0.1338 49 H -0.5581 -2.4812 2.0803 H 1 UNL1111111111 0.1475 50 H -0.5973 -3.3663 0.5482 H 1 UNL1111111111 0.1420 51 H 0.9190 -2.6929 1.1412 H 1 UNL1111111111 0.1438 52 H -2.7468 -2.7523 1.0599 H 1 UNL1111111111 0.1318 53 H 6.3296 0.0232 0.9933 H 1 UNL1111111111 0.1482 54 H 6.3180 1.7846 0.8694 H 1 UNL1111111111 0.1548 55 H 3.8353 -1.7660 1.3664 H 1 UNL1111111111 0.1456 56 H 3.9182 -2.5737 -0.2020 H 1 UNL1111111111 0.1443 57 H 5.3426 -1.7699 0.4526 H 1 UNL1111111111 0.1469 58 H 6.3171 -1.3331 -1.4925 H 1 UNL1111111111 0.1448 59 H 6.2387 -0.2745 -2.9052 H 1 UNL1111111111 0.1522 60 H 7.6335 0.7023 -1.0136 H 1 UNL1111111111 0.1331 61 H -5.1188 -2.3156 0.5329 H 1 UNL1111111111 0.1361 62 H -4.4814 -1.1362 1.6753 H 1 UNL1111111111 0.1369 63 H 2.2191 2.4018 0.3183 H 1 UNL1111111111 0.3094 64 H -2.0345 -3.1778 -1.2260 H 1 UNL1111111111 0.1399 65 H -3.7964 -3.2413 -1.2545 H 1 UNL1111111111 0.1437 66 H -2.9565 -1.8137 -1.8706 H 1 UNL1111111111 0.1442 67 H -4.8296 -0.6470 -1.3545 H 1 UNL1111111111 0.1380 68 H -4.1936 0.5381 -0.2049 H 1 UNL1111111111 0.1393 69 H 5.3935 2.2301 -1.7854 H 1 UNL1111111111 0.3128 70 H -6.3939 0.3159 1.1396 H 1 UNL1111111111 0.1545 71 H -7.0174 -0.7299 -0.1291 H 1 UNL1111111111 0.1547 72 H -5.7507 0.9800 -2.6292 H 1 UNL1111111111 0.1550 73 H -7.2074 1.9677 -2.7809 H 1 UNL1111111111 0.1464 74 H -7.3506 0.2286 -2.5136 H 1 UNL1111111111 0.1605 75 H -6.3934 3.4864 -0.8785 H 1 UNL1111111111 0.1456 76 H -4.9440 2.5224 -0.5779 H 1 UNL1111111111 0.1569 77 H -6.1072 2.8069 0.7263 H 1 UNL1111111111 0.1618 78 H -8.5562 2.2404 -0.7241 H 1 UNL1111111111 0.3147 @BOND 1 1 14 1 2 1 63 1 3 2 23 1 4 2 69 1 5 3 28 1 6 3 78 1 7 4 5 1 8 4 6 1 9 4 13 1 10 4 31 1 11 5 9 1 12 5 11 1 13 5 18 1 14 6 7 1 15 6 14 1 16 6 32 1 17 7 8 1 18 7 12 1 19 7 33 1 20 8 10 1 21 8 17 1 22 8 21 1 23 9 15 1 24 9 19 1 25 9 34 1 26 10 16 1 27 10 20 1 28 10 35 1 29 11 12 1 30 11 36 1 31 11 37 1 32 12 38 1 33 12 39 1 34 13 15 1 35 13 40 1 36 13 41 1 37 14 16 1 38 14 42 1 39 15 43 1 40 15 44 1 41 16 45 1 42 16 46 1 43 17 22 1 44 17 47 1 45 17 48 1 46 18 49 1 47 18 50 1 48 18 51 1 49 19 24 1 50 19 25 1 51 19 52 1 52 20 23 1 53 20 53 1 54 20 54 1 55 21 55 1 56 21 56 1 57 21 57 1 58 22 23 1 59 22 58 1 60 22 59 1 61 23 60 1 62 24 26 1 63 24 61 1 64 24 62 1 65 25 64 1 66 25 65 1 67 25 66 1 68 26 27 1 69 26 67 1 70 26 68 1 71 27 28 1 72 27 70 1 73 27 71 1 74 28 29 1 75 28 30 1 76 29 72 1 77 29 73 1 78 29 74 1 79 30 75 1 80 30 76 1 81 30 77 1