@MOLECULE 24-hydroxycalcitriol 75 77 0 0 0 SMALL GASTEIGER @ATOM 1 O 6.1440 -2.0766 0.7854 O.3 1 UNL1111111111 -0.5627 2 O 8.3132 -1.4418 -0.7174 O.3 1 UNL1111111111 -0.5702 3 O -8.5181 0.6471 -0.3763 O.3 1 UNL1111111111 -0.5732 4 O -5.5911 -1.2738 1.9742 O.3 1 UNL1111111111 -0.5648 5 C 0.7047 1.2415 0.4037 C.3 1 UNL1111111111 0.0829 6 C 2.0596 0.4822 0.5084 C.3 1 UNL1111111111 -0.1477 7 C -0.0381 0.3267 -0.6255 C.3 1 UNL1111111111 -0.1601 8 C 1.6407 -1.0174 0.4898 C.3 1 UNL1111111111 -0.2764 9 C 0.2101 -1.0901 -0.0963 C.3 1 UNL1111111111 -0.2746 10 C 0.7981 2.6428 -0.2183 C.3 1 UNL1111111111 -0.3041 11 C 2.9579 0.7971 1.7164 C.3 1 UNL1111111111 -0.0914 12 C -1.4233 0.8214 -0.8577 C.2 1 UNL1111111111 0.0509 13 C -0.0234 1.3002 1.7484 C.3 1 UNL1111111111 -0.4563 14 C -0.6001 3.1811 -0.5629 C.3 1 UNL1111111111 -0.2522 15 C -1.4135 2.2095 -1.4343 C.3 1 UNL1111111111 -0.2914 16 C 4.2292 -0.0872 1.6984 C.3 1 UNL1111111111 -0.2721 17 C 3.3635 2.2759 1.7599 C.3 1 UNL1111111111 -0.4521 18 C -2.5295 0.0969 -0.6222 C.2 1 UNL1111111111 -0.2483 19 C 5.0206 0.0494 0.3959 C.3 1 UNL1111111111 -0.3272 20 C 6.3419 -0.7158 0.4523 C.3 1 UNL1111111111 0.0826 21 C -3.8741 0.5606 -0.8951 C.2 1 UNL1111111111 -0.1577 22 C 7.1278 -0.6869 -0.8958 C.3 1 UNL1111111111 0.2915 23 C -4.9788 -0.1975 -0.7950 C.2 1 UNL1111111111 -0.0191 24 C -6.3251 0.3750 -1.1193 C.3 1 UNL1111111111 -0.3149 25 C 6.3355 -1.3341 -2.0378 C.3 1 UNL1111111111 -0.5013 26 C 7.6079 0.7153 -1.2599 C.3 1 UNL1111111111 -0.4783 27 C -5.0156 -1.5968 -0.3636 C.2 1 UNL1111111111 -0.0509 28 C -7.2641 0.1668 0.0774 C.3 1 UNL1111111111 0.1833 29 C -5.9888 -1.8870 0.7571 C.3 1 UNL1111111111 0.1576 30 C -7.3785 -1.3158 0.4482 C.3 1 UNL1111111111 -0.3707 31 C -4.2908 -2.5634 -0.9320 C.2 1 UNL1111111111 -0.3108 32 H 2.6317 0.7124 -0.4223 H 1 UNL1111111111 0.1329 33 H 0.4981 0.4051 -1.6105 H 1 UNL1111111111 0.1475 34 H 2.3485 -1.6106 -0.1061 H 1 UNL1111111111 0.1297 35 H 1.6589 -1.4494 1.5033 H 1 UNL1111111111 0.1391 36 H 0.1246 -1.8462 -0.8905 H 1 UNL1111111111 0.1356 37 H -0.5209 -1.3667 0.6810 H 1 UNL1111111111 0.1425 38 H 1.4301 2.6211 -1.1239 H 1 UNL1111111111 0.1358 39 H 1.2977 3.3365 0.4806 H 1 UNL1111111111 0.1411 40 H 2.3953 0.5601 2.6530 H 1 UNL1111111111 0.1362 41 H -1.0822 1.5563 1.6177 H 1 UNL1111111111 0.1556 42 H 0.4191 2.0505 2.4105 H 1 UNL1111111111 0.1417 43 H 0.0133 0.3362 2.2678 H 1 UNL1111111111 0.1496 44 H -1.1548 3.3921 0.3730 H 1 UNL1111111111 0.1430 45 H -0.5065 4.1542 -1.0792 H 1 UNL1111111111 0.1323 46 H -0.9896 2.1748 -2.4544 H 1 UNL1111111111 0.1484 47 H -2.4414 2.6097 -1.5583 H 1 UNL1111111111 0.1481 48 H 3.9461 -1.1459 1.8578 H 1 UNL1111111111 0.1442 49 H 4.8696 0.1708 2.5633 H 1 UNL1111111111 0.1420 50 H 4.1633 2.4454 2.4888 H 1 UNL1111111111 0.1453 51 H 3.7224 2.6282 0.7882 H 1 UNL1111111111 0.1423 52 H 2.5210 2.9105 2.0548 H 1 UNL1111111111 0.1422 53 H -2.4475 -0.9103 -0.2101 H 1 UNL1111111111 0.1585 54 H 4.4073 -0.3071 -0.4531 H 1 UNL1111111111 0.1458 55 H 5.2287 1.1197 0.1948 H 1 UNL1111111111 0.1541 56 H 6.9925 -0.3659 1.2891 H 1 UNL1111111111 0.1535 57 H -3.9681 1.6087 -1.1994 H 1 UNL1111111111 0.1518 58 H 5.4812 -2.4904 0.1969 H 1 UNL1111111111 0.3153 59 H -6.7542 -0.1101 -2.0236 H 1 UNL1111111111 0.1699 60 H -6.2746 1.4530 -1.3658 H 1 UNL1111111111 0.1599 61 H 6.9674 -1.4049 -2.9348 H 1 UNL1111111111 0.1672 62 H 6.0339 -2.3567 -1.7897 H 1 UNL1111111111 0.1465 63 H 5.4457 -0.7576 -2.3059 H 1 UNL1111111111 0.1499 64 H 6.7866 1.3451 -1.6102 H 1 UNL1111111111 0.1480 65 H 8.0917 1.2083 -0.4108 H 1 UNL1111111111 0.1569 66 H 8.3634 0.6667 -2.0587 H 1 UNL1111111111 0.1691 67 H -6.9425 0.7720 0.9531 H 1 UNL1111111111 0.1290 68 H -6.0507 -2.9748 0.9912 H 1 UNL1111111111 0.1285 69 H 8.1264 -2.2354 -0.1642 H 1 UNL1111111111 0.3330 70 H -8.0244 -1.4277 1.3385 H 1 UNL1111111111 0.1586 71 H -7.8544 -1.8871 -0.3693 H 1 UNL1111111111 0.1620 72 H -4.3251 -3.6004 -0.6357 H 1 UNL1111111111 0.1473 73 H -3.6034 -2.3834 -1.7457 H 1 UNL1111111111 0.1588 74 H -9.1790 0.6130 0.3402 H 1 UNL1111111111 0.3156 75 H -4.6463 -1.0287 1.9602 H 1 UNL1111111111 0.3251 @BOND 1 1 20 1 2 1 58 1 3 2 22 1 4 2 69 1 5 3 28 1 6 3 74 1 7 4 29 1 8 4 75 1 9 5 6 1 10 5 7 1 11 5 10 1 12 5 13 1 13 6 8 1 14 6 11 1 15 6 32 1 16 7 9 1 17 7 12 1 18 7 33 1 19 8 9 1 20 8 34 1 21 8 35 1 22 9 36 1 23 9 37 1 24 10 14 1 25 10 38 1 26 10 39 1 27 11 16 1 28 11 17 1 29 11 40 1 30 12 15 1 31 12 18 2 32 13 41 1 33 13 42 1 34 13 43 1 35 14 15 1 36 14 44 1 37 14 45 1 38 15 46 1 39 15 47 1 40 16 19 1 41 16 48 1 42 16 49 1 43 17 50 1 44 17 51 1 45 17 52 1 46 18 21 1 47 18 53 1 48 19 20 1 49 19 54 1 50 19 55 1 51 20 22 1 52 20 56 1 53 21 23 2 54 21 57 1 55 22 25 1 56 22 26 1 57 23 24 1 58 23 27 1 59 24 28 1 60 24 59 1 61 24 60 1 62 25 61 1 63 25 62 1 64 25 63 1 65 26 64 1 66 26 65 1 67 26 66 1 68 27 29 1 69 27 31 2 70 28 30 1 71 28 67 1 72 29 30 1 73 29 68 1 74 30 70 1 75 30 71 1 76 31 72 1 77 31 73 1