@MOLECULE cholest-5,7-diene-1alpha,3beta-diol 73 76 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.8244 2.3290 0.7417 O.3 1 UNL1111111111 -0.5742 2 O 7.5142 0.7532 0.4650 O.3 1 UNL1111111111 -0.5784 3 C -0.9024 -0.5056 -0.6687 C.3 1 UNL1111111111 0.0846 4 C -0.2378 -0.8340 0.7019 C.3 1 UNL1111111111 -0.1537 5 C -2.4105 -0.6263 -0.2993 C.3 1 UNL1111111111 -0.1418 6 C 1.8755 0.3443 0.0010 C.3 1 UNL1111111111 -0.1294 7 C -0.4301 0.9073 -1.0349 C.3 1 UNL1111111111 -0.3003 8 C 1.2474 -0.8819 0.6153 C.2 1 UNL1111111111 0.0083 9 C -1.0085 -2.0675 1.1901 C.3 1 UNL1111111111 -0.2731 10 C -2.4505 -1.8302 0.6872 C.3 1 UNL1111111111 -0.2773 11 C 3.3871 0.1519 -0.3590 C.3 1 UNL1111111111 -0.0045 12 C 1.0962 0.9142 -1.2069 C.3 1 UNL1111111111 -0.2756 13 C -3.3906 -0.8217 -1.4695 C.3 1 UNL1111111111 -0.0908 14 C -0.5095 -1.5176 -1.7482 C.3 1 UNL1111111111 -0.4572 15 C 4.0343 1.5664 -0.4358 C.3 1 UNL1111111111 0.1450 16 C 4.0952 -0.7350 0.6373 C.2 1 UNL1111111111 0.0124 17 C 1.9904 -1.8165 1.2293 C.2 1 UNL1111111111 -0.2155 18 C 3.5647 -0.5472 -1.7220 C.3 1 UNL1111111111 -0.4514 19 C -4.8355 -1.0251 -0.9600 C.3 1 UNL1111111111 -0.2902 20 C 5.5589 1.5203 -0.5556 C.3 1 UNL1111111111 -0.3292 21 C 3.4285 -1.6800 1.3243 C.2 1 UNL1111111111 -0.2037 22 C 5.5856 -0.6565 0.7320 C.3 1 UNL1111111111 -0.3543 23 C -3.3473 0.3583 -2.4480 C.3 1 UNL1111111111 -0.4518 24 C 6.1085 0.7872 0.6689 C.3 1 UNL1111111111 0.1888 25 C -5.3706 0.1652 -0.1549 C.3 1 UNL1111111111 -0.2618 26 C -6.8039 -0.1031 0.3185 C.3 1 UNL1111111111 -0.2891 27 C -7.3993 1.0496 1.1513 C.3 1 UNL1111111111 -0.0604 28 C -7.4922 2.3429 0.3330 C.3 1 UNL1111111111 -0.4536 29 C -6.5944 1.2887 2.4343 C.3 1 UNL1111111111 -0.4524 30 H -0.4785 0.0067 1.4136 H 1 UNL1111111111 0.1505 31 H -2.7031 0.2990 0.2478 H 1 UNL1111111111 0.1352 32 H 1.8176 1.1176 0.8249 H 1 UNL1111111111 0.1358 33 H -0.7371 1.6310 -0.2587 H 1 UNL1111111111 0.1386 34 H -0.9067 1.2539 -1.9695 H 1 UNL1111111111 0.1434 35 H -0.9656 -2.1746 2.2838 H 1 UNL1111111111 0.1357 36 H -0.5887 -2.9943 0.7656 H 1 UNL1111111111 0.1411 37 H -2.8356 -2.7354 0.1926 H 1 UNL1111111111 0.1361 38 H -3.1340 -1.6164 1.5223 H 1 UNL1111111111 0.1345 39 H 1.3369 0.3384 -2.1218 H 1 UNL1111111111 0.1510 40 H 1.4375 1.9488 -1.4015 H 1 UNL1111111111 0.1363 41 H -3.1033 -1.7464 -2.0281 H 1 UNL1111111111 0.1339 42 H -0.9710 -2.4947 -1.5674 H 1 UNL1111111111 0.1481 43 H -0.8126 -1.1819 -2.7442 H 1 UNL1111111111 0.1415 44 H 0.5749 -1.6832 -1.7636 H 1 UNL1111111111 0.1524 45 H 3.5849 2.1515 -1.2703 H 1 UNL1111111111 0.1199 46 H 1.5468 -2.6830 1.7126 H 1 UNL1111111111 0.1538 47 H 4.6050 -0.8564 -1.8819 H 1 UNL1111111111 0.1542 48 H 2.9485 -1.4547 -1.7696 H 1 UNL1111111111 0.1594 49 H 3.2901 0.0978 -2.5618 H 1 UNL1111111111 0.1456 50 H -5.4973 -1.2127 -1.8270 H 1 UNL1111111111 0.1348 51 H -4.8870 -1.9425 -0.3449 H 1 UNL1111111111 0.1351 52 H 5.9720 2.5488 -0.5908 H 1 UNL1111111111 0.1688 53 H 5.8802 1.0299 -1.4905 H 1 UNL1111111111 0.1592 54 H 3.9367 -2.3701 1.9943 H 1 UNL1111111111 0.1513 55 H 5.9504 -1.1411 1.6592 H 1 UNL1111111111 0.1481 56 H 6.0409 -1.2407 -0.0991 H 1 UNL1111111111 0.1689 57 H -4.1743 0.3077 -3.1649 H 1 UNL1111111111 0.1433 58 H -2.4167 0.3623 -3.0258 H 1 UNL1111111111 0.1421 59 H -3.4228 1.3183 -1.9269 H 1 UNL1111111111 0.1440 60 H 5.8924 1.3453 1.6071 H 1 UNL1111111111 0.1343 61 H -4.7178 0.3585 0.7168 H 1 UNL1111111111 0.1388 62 H -5.3399 1.0834 -0.7700 H 1 UNL1111111111 0.1389 63 H 2.9463 2.1581 1.1391 H 1 UNL1111111111 0.3163 64 H -6.8287 -1.0328 0.9181 H 1 UNL1111111111 0.1343 65 H -7.4544 -0.2909 -0.5565 H 1 UNL1111111111 0.1336 66 H 7.9703 0.3929 1.2436 H 1 UNL1111111111 0.3130 67 H -8.4373 0.7481 1.4432 H 1 UNL1111111111 0.1242 68 H -6.5004 2.7323 0.0792 H 1 UNL1111111111 0.1449 69 H -8.0180 3.1255 0.8901 H 1 UNL1111111111 0.1408 70 H -8.0331 2.1817 -0.6054 H 1 UNL1111111111 0.1414 71 H -5.5946 1.6798 2.2169 H 1 UNL1111111111 0.1457 72 H -7.0946 2.0148 3.0837 H 1 UNL1111111111 0.1400 73 H -6.4706 0.3622 3.0047 H 1 UNL1111111111 0.1419 @BOND 1 1 15 1 2 1 63 1 3 2 24 1 4 2 66 1 5 3 4 1 6 3 5 1 7 3 7 1 8 3 14 1 9 4 8 1 10 4 9 1 11 4 30 1 12 5 10 1 13 5 13 1 14 5 31 1 15 6 8 1 16 6 11 1 17 6 12 1 18 6 32 1 19 7 12 1 20 7 33 1 21 7 34 1 22 8 17 2 23 9 10 1 24 9 35 1 25 9 36 1 26 10 37 1 27 10 38 1 28 11 15 1 29 11 16 1 30 11 18 1 31 12 39 1 32 12 40 1 33 13 19 1 34 13 23 1 35 13 41 1 36 14 42 1 37 14 43 1 38 14 44 1 39 15 20 1 40 15 45 1 41 16 21 2 42 16 22 1 43 17 21 1 44 17 46 1 45 18 47 1 46 18 48 1 47 18 49 1 48 19 25 1 49 19 50 1 50 19 51 1 51 20 24 1 52 20 52 1 53 20 53 1 54 21 54 1 55 22 24 1 56 22 55 1 57 22 56 1 58 23 57 1 59 23 58 1 60 23 59 1 61 24 60 1 62 25 26 1 63 25 61 1 64 25 62 1 65 26 27 1 66 26 64 1 67 26 65 1 68 27 28 1 69 27 29 1 70 27 67 1 71 28 68 1 72 28 69 1 73 28 70 1 74 29 71 1 75 29 72 1 76 29 73 1