@MOLECULE 24-norcholan-23-oic acid, 3,7-dihydroxy-, (3alpha,5beta,7alpha)- 65 68 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.1358 2.2162 -1.1156 O.3 1 UNL1111111111 -0.5704 2 O 5.5149 -0.8903 -2.4617 O.3 1 UNL1111111111 -0.5693 3 O -7.2719 -0.3726 -1.2833 O.3 1 UNL1111111111 -0.5744 4 O -6.6496 -0.3252 0.8528 O.2 1 UNL1111111111 -0.5115 5 C -0.2963 0.9933 -0.1007 C.3 1 UNL1111111111 -0.1479 6 C 1.0308 0.9210 0.6508 C.3 1 UNL1111111111 -0.1935 7 C -1.2631 -0.1578 0.3167 C.3 1 UNL1111111111 0.0833 8 C 1.7171 -0.4170 0.2857 C.3 1 UNL1111111111 -0.1191 9 C 3.0646 -0.5562 1.0410 C.3 1 UNL1111111111 0.0634 10 C -2.5412 0.2494 -0.4810 C.3 1 UNL1111111111 -0.1450 11 C 4.0033 0.6199 0.6490 C.3 1 UNL1111111111 -0.0961 12 C -0.5952 -1.4647 -0.1298 C.3 1 UNL1111111111 -0.3004 13 C 0.7823 -1.6160 0.5386 C.3 1 UNL1111111111 -0.2830 14 C 1.9356 2.1114 0.2850 C.3 1 UNL1111111111 0.1531 15 C -1.1493 2.2580 0.0596 C.3 1 UNL1111111111 -0.2848 16 C -2.5680 1.8024 -0.3533 C.3 1 UNL1111111111 -0.2787 17 C 3.3387 1.9862 0.8894 C.3 1 UNL1111111111 -0.3125 18 C 3.7765 -1.8885 0.6958 C.3 1 UNL1111111111 -0.2907 19 C -1.5505 -0.1861 1.8206 C.3 1 UNL1111111111 -0.4588 20 C 4.4725 0.5283 -0.8112 C.3 1 UNL1111111111 -0.3528 21 C -3.8669 -0.3784 -0.0175 C.3 1 UNL1111111111 -0.0742 22 C 2.8633 -0.5482 2.5691 C.3 1 UNL1111111111 -0.4686 23 C 4.1871 -1.9796 -0.7729 C.3 1 UNL1111111111 -0.3312 24 C 5.1359 -0.8191 -1.1017 C.3 1 UNL1111111111 0.1678 25 C -5.0194 0.1400 -0.9063 C.3 1 UNL1111111111 -0.3667 26 C -3.8346 -1.9074 -0.1001 C.3 1 UNL1111111111 -0.4576 27 C -6.3403 -0.2067 -0.3031 C.2 1 UNL1111111111 0.6517 28 H -0.0755 0.8642 -1.1917 H 1 UNL1111111111 0.1343 29 H 0.8426 0.9567 1.7490 H 1 UNL1111111111 0.1507 30 H 1.9456 -0.3862 -0.8101 H 1 UNL1111111111 0.1498 31 H -2.3819 -0.0246 -1.5493 H 1 UNL1111111111 0.1354 32 H 4.9092 0.5596 1.3029 H 1 UNL1111111111 0.1300 33 H -0.4857 -1.4852 -1.2291 H 1 UNL1111111111 0.1372 34 H -1.2232 -2.3367 0.1250 H 1 UNL1111111111 0.1415 35 H 0.6487 -1.7678 1.6255 H 1 UNL1111111111 0.1405 36 H 1.2603 -2.5399 0.1596 H 1 UNL1111111111 0.1384 37 H 1.4600 3.0679 0.6087 H 1 UNL1111111111 0.1084 38 H -0.7895 3.0883 -0.5643 H 1 UNL1111111111 0.1307 39 H -1.1355 2.6233 1.0993 H 1 UNL1111111111 0.1410 40 H -3.3045 2.1246 0.4001 H 1 UNL1111111111 0.1402 41 H -2.8660 2.2636 -1.3064 H 1 UNL1111111111 0.1311 42 H 3.2823 2.1902 1.9748 H 1 UNL1111111111 0.1399 43 H 3.9797 2.7843 0.4595 H 1 UNL1111111111 0.1587 44 H 3.1299 -2.7437 0.9626 H 1 UNL1111111111 0.1385 45 H 4.6757 -1.9940 1.3348 H 1 UNL1111111111 0.1398 46 H -0.6316 -0.2734 2.4113 H 1 UNL1111111111 0.1468 47 H -2.0613 0.7254 2.1499 H 1 UNL1111111111 0.1490 48 H -2.1851 -1.0376 2.0898 H 1 UNL1111111111 0.1478 49 H 3.6177 0.6898 -1.4991 H 1 UNL1111111111 0.1729 50 H 5.1765 1.3508 -1.0379 H 1 UNL1111111111 0.1520 51 H -4.0701 -0.0772 1.0415 H 1 UNL1111111111 0.1585 52 H 3.8204 -0.6242 3.0990 H 1 UNL1111111111 0.1447 53 H 2.3762 0.3691 2.9130 H 1 UNL1111111111 0.1449 54 H 2.2435 -1.3898 2.8947 H 1 UNL1111111111 0.1441 55 H 4.6875 -2.9435 -0.9813 H 1 UNL1111111111 0.1487 56 H 3.3029 -1.9547 -1.4341 H 1 UNL1111111111 0.1440 57 H 6.1144 -0.9277 -0.5837 H 1 UNL1111111111 0.1357 58 H 1.2841 2.2444 -1.5892 H 1 UNL1111111111 0.3119 59 H -4.9322 -0.2698 -1.9359 H 1 UNL1111111111 0.1843 60 H -4.9666 1.2435 -1.0278 H 1 UNL1111111111 0.1795 61 H -3.1237 -2.3319 0.6190 H 1 UNL1111111111 0.1516 62 H -3.5489 -2.2571 -1.0979 H 1 UNL1111111111 0.1460 63 H -4.8143 -2.3396 0.1394 H 1 UNL1111111111 0.1526 64 H 4.7670 -0.6747 -3.0485 H 1 UNL1111111111 0.3130 65 H -8.1736 -0.5872 -0.9442 H 1 UNL1111111111 0.3540 @BOND 1 1 14 1 2 1 58 1 3 2 24 1 4 2 64 1 5 3 27 1 6 3 65 1 7 4 27 2 8 5 6 1 9 5 7 1 10 5 15 1 11 5 28 1 12 6 8 1 13 6 14 1 14 6 29 1 15 7 10 1 16 7 12 1 17 7 19 1 18 8 9 1 19 8 13 1 20 8 30 1 21 9 11 1 22 9 18 1 23 9 22 1 24 10 16 1 25 10 21 1 26 10 31 1 27 11 17 1 28 11 20 1 29 11 32 1 30 12 13 1 31 12 33 1 32 12 34 1 33 13 35 1 34 13 36 1 35 14 17 1 36 14 37 1 37 15 16 1 38 15 38 1 39 15 39 1 40 16 40 1 41 16 41 1 42 17 42 1 43 17 43 1 44 18 23 1 45 18 44 1 46 18 45 1 47 19 46 1 48 19 47 1 49 19 48 1 50 20 24 1 51 20 49 1 52 20 50 1 53 21 25 1 54 21 26 1 55 21 51 1 56 22 52 1 57 22 53 1 58 22 54 1 59 23 24 1 60 23 55 1 61 23 56 1 62 24 57 1 63 25 27 1 64 25 59 1 65 25 60 1 66 26 61 1 67 26 62 1 68 26 63 1