@MOLECULE (3beta,7alpha)-cholest-5-ene-3,7,25-triol 76 79 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.7213 2.6163 0.5524 O.3 1 UNL1111111111 -0.5488 2 O 7.8172 0.8111 -1.2128 O.3 1 UNL1111111111 -0.5629 3 O -8.2071 1.4137 -0.5803 O.3 1 UNL1111111111 -0.5855 4 C -0.4689 -1.0427 0.5093 C.3 1 UNL1111111111 0.0671 5 C 0.1891 0.3203 0.8765 C.3 1 UNL1111111111 -0.1274 6 C 1.7064 0.2163 0.9856 C.3 1 UNL1111111111 -0.1856 7 C 2.2720 -0.2460 -0.3763 C.3 1 UNL1111111111 -0.1267 8 C -1.9763 -0.6585 0.6125 C.3 1 UNL1111111111 -0.1417 9 C 0.0315 -1.3957 -0.8977 C.3 1 UNL1111111111 -0.2967 10 C 3.8193 -0.4376 -0.2881 C.3 1 UNL1111111111 0.0478 11 C -0.5912 0.7852 2.1130 C.3 1 UNL1111111111 -0.2807 12 C 1.5660 -1.5132 -0.8975 C.3 1 UNL1111111111 -0.2772 13 C -2.0274 0.2718 1.8612 C.3 1 UNL1111111111 -0.2762 14 C 2.3013 1.5939 1.3423 C.3 1 UNL1111111111 0.1496 15 C -2.9797 -1.8179 0.7284 C.3 1 UNL1111111111 -0.0931 16 C -0.1270 -2.1625 1.4986 C.3 1 UNL1111111111 -0.4565 17 C 4.4619 0.7347 0.4221 C.2 1 UNL1111111111 0.0333 18 C 4.3567 -0.5264 -1.7396 C.3 1 UNL1111111111 -0.2808 19 C 3.7861 1.6213 1.1606 C.2 1 UNL1111111111 -0.2910 20 C 4.1827 -1.7096 0.4967 C.3 1 UNL1111111111 -0.4507 21 C 5.9534 0.8459 0.3162 C.3 1 UNL1111111111 -0.3575 22 C 5.8834 -0.5096 -1.8121 C.3 1 UNL1111111111 -0.3347 23 C -4.4181 -1.2980 0.9518 C.3 1 UNL1111111111 -0.2848 24 C 6.4092 0.7676 -1.1487 C.3 1 UNL1111111111 0.1784 25 C -2.9429 -2.7215 -0.5108 C.3 1 UNL1111111111 -0.4527 26 C -4.9125 -0.3696 -0.1641 C.3 1 UNL1111111111 -0.2569 27 C -6.3577 0.0604 0.0992 C.3 1 UNL1111111111 -0.3464 28 C -6.8777 1.0626 -0.9514 C.3 1 UNL1111111111 0.3557 29 C -6.9044 0.4656 -2.3629 C.3 1 UNL1111111111 -0.5138 30 C -6.1374 2.4006 -0.9127 C.3 1 UNL1111111111 -0.4728 31 H -0.0366 1.0485 0.0521 H 1 UNL1111111111 0.1502 32 H 1.9902 -0.5068 1.7824 H 1 UNL1111111111 0.1488 33 H 2.0730 0.5709 -1.1146 H 1 UNL1111111111 0.1331 34 H -2.2359 -0.0623 -0.2923 H 1 UNL1111111111 0.1353 35 H -0.2932 -0.6285 -1.6233 H 1 UNL1111111111 0.1374 36 H -0.4097 -2.3461 -1.2463 H 1 UNL1111111111 0.1385 37 H -0.5592 1.8811 2.2197 H 1 UNL1111111111 0.1453 38 H -0.1720 0.3658 3.0397 H 1 UNL1111111111 0.1325 39 H 1.8557 -2.3899 -0.2885 H 1 UNL1111111111 0.1435 40 H 1.9103 -1.7313 -1.9256 H 1 UNL1111111111 0.1319 41 H -2.4000 -0.2709 2.7430 H 1 UNL1111111111 0.1327 42 H -2.7235 1.1065 1.6890 H 1 UNL1111111111 0.1358 43 H 1.9958 1.9001 2.3704 H 1 UNL1111111111 0.1453 44 H -2.7112 -2.4366 1.6205 H 1 UNL1111111111 0.1323 45 H 0.9542 -2.2974 1.6058 H 1 UNL1111111111 0.1440 46 H -0.5251 -1.9466 2.4962 H 1 UNL1111111111 0.1479 47 H -0.5434 -3.1206 1.1714 H 1 UNL1111111111 0.1410 48 H 3.9513 0.3157 -2.3342 H 1 UNL1111111111 0.1421 49 H 3.9743 -1.4474 -2.2193 H 1 UNL1111111111 0.1437 50 H 4.2786 2.4539 1.6586 H 1 UNL1111111111 0.1616 51 H 5.2623 -1.7871 0.6627 H 1 UNL1111111111 0.1457 52 H 3.6998 -1.7187 1.4807 H 1 UNL1111111111 0.1503 53 H 3.8766 -2.6159 -0.0361 H 1 UNL1111111111 0.1477 54 H 6.3284 1.7908 0.7612 H 1 UNL1111111111 0.1635 55 H 6.4325 0.0418 0.9110 H 1 UNL1111111111 0.1558 56 H 6.3088 -1.4056 -1.3263 H 1 UNL1111111111 0.1432 57 H 6.2225 -0.5521 -2.8646 H 1 UNL1111111111 0.1524 58 H -5.1006 -2.1641 1.0448 H 1 UNL1111111111 0.1341 59 H -4.4737 -0.7716 1.9233 H 1 UNL1111111111 0.1371 60 H 6.1230 1.6815 -1.7171 H 1 UNL1111111111 0.1455 61 H -2.9974 -2.1397 -1.4367 H 1 UNL1111111111 0.1442 62 H -3.7815 -3.4261 -0.5134 H 1 UNL1111111111 0.1425 63 H -2.0221 -3.3139 -0.5438 H 1 UNL1111111111 0.1409 64 H 2.0166 2.5454 -0.3769 H 1 UNL1111111111 0.3110 65 H -4.8372 -0.8807 -1.1418 H 1 UNL1111111111 0.1378 66 H -4.2591 0.5215 -0.2315 H 1 UNL1111111111 0.1424 67 H 8.2232 0.0401 -0.7766 H 1 UNL1111111111 0.3118 68 H -7.0182 -0.8250 0.1265 H 1 UNL1111111111 0.1380 69 H -6.4434 0.5242 1.1018 H 1 UNL1111111111 0.1558 70 H -7.3651 -0.5261 -2.3779 H 1 UNL1111111111 0.1465 71 H -5.8957 0.3703 -2.7768 H 1 UNL1111111111 0.1558 72 H -7.4798 1.1102 -3.0393 H 1 UNL1111111111 0.1613 73 H -6.1344 2.8161 0.1027 H 1 UNL1111111111 0.1600 74 H -6.6413 3.1368 -1.5524 H 1 UNL1111111111 0.1601 75 H -5.1026 2.3028 -1.2502 H 1 UNL1111111111 0.1499 76 H -8.8090 0.6543 -0.6487 H 1 UNL1111111111 0.3124 @BOND 1 1 14 1 2 1 64 1 3 2 24 1 4 2 67 1 5 3 28 1 6 3 76 1 7 4 5 1 8 4 8 1 9 4 9 1 10 4 16 1 11 5 6 1 12 5 11 1 13 5 31 1 14 6 7 1 15 6 14 1 16 6 32 1 17 7 10 1 18 7 12 1 19 7 33 1 20 8 13 1 21 8 15 1 22 8 34 1 23 9 12 1 24 9 35 1 25 9 36 1 26 10 17 1 27 10 18 1 28 10 20 1 29 11 13 1 30 11 37 1 31 11 38 1 32 12 39 1 33 12 40 1 34 13 41 1 35 13 42 1 36 14 19 1 37 14 43 1 38 15 23 1 39 15 25 1 40 15 44 1 41 16 45 1 42 16 46 1 43 16 47 1 44 17 19 2 45 17 21 1 46 18 22 1 47 18 48 1 48 18 49 1 49 19 50 1 50 20 51 1 51 20 52 1 52 20 53 1 53 21 24 1 54 21 54 1 55 21 55 1 56 22 24 1 57 22 56 1 58 22 57 1 59 23 26 1 60 23 58 1 61 23 59 1 62 24 60 1 63 25 61 1 64 25 62 1 65 25 63 1 66 26 27 1 67 26 65 1 68 26 66 1 69 27 28 1 70 27 68 1 71 27 69 1 72 28 29 1 73 28 30 1 74 29 70 1 75 29 71 1 76 29 72 1 77 30 73 1 78 30 74 1 79 30 75 1