@MOLECULE (3alpha,5beta,7alpha,12alpha)-n,3,7,12-tetrahydroxycholan-24-amide 71 74 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1664 0.6159 1.8463 O.3 1 UNL1111111111 -0.5618 2 O 1.9170 -2.3776 -1.0669 O.3 1 UNL1111111111 -0.5681 3 O 5.1002 -2.0862 2.5846 O.3 1 UNL1111111111 -0.5749 4 O -7.1595 -0.0905 1.3042 O.2 1 UNL1111111111 -0.5064 5 O -7.3359 -2.5039 0.2362 O.3 1 UNL1111111111 -0.2994 6 N -6.1833 -1.7263 0.0757 N.am 1 UNL1111111111 -0.4062 7 C -0.5758 1.0600 -0.5145 C.3 1 UNL1111111111 -0.0026 8 C 0.1546 -0.2395 -0.9614 C.3 1 UNL1111111111 -0.1236 9 C 1.6216 0.0236 -1.2896 C.3 1 UNL1111111111 -0.1936 10 C 2.3169 0.5039 0.0054 C.3 1 UNL1111111111 -0.1215 11 C 3.8204 0.7770 -0.2555 C.3 1 UNL1111111111 0.0669 12 C -2.0337 0.5351 -0.3869 C.3 1 UNL1111111111 -0.1282 13 C 0.0819 1.5262 0.7973 C.3 1 UNL1111111111 0.1356 14 C 1.5999 1.7233 0.6134 C.3 1 UNL1111111111 -0.3488 15 C 4.5044 -0.5344 -0.7345 C.3 1 UNL1111111111 -0.1158 16 C -0.7502 -0.8004 -2.0667 C.3 1 UNL1111111111 -0.2798 17 C 2.2780 -1.2570 -1.8398 C.3 1 UNL1111111111 0.1571 18 C -2.1771 -0.4349 -1.5977 C.3 1 UNL1111111111 -0.2779 19 C 3.8019 -1.1278 -1.9672 C.3 1 UNL1111111111 -0.3515 20 C 4.5439 1.2706 1.0219 C.3 1 UNL1111111111 -0.2905 21 C -0.4841 2.1902 -1.5444 C.3 1 UNL1111111111 -0.4581 22 C -3.1522 1.5913 -0.3685 C.3 1 UNL1111111111 -0.0898 23 C 4.5975 -1.5917 0.3755 C.3 1 UNL1111111111 -0.3090 24 C 4.0211 1.8677 -1.3242 C.3 1 UNL1111111111 -0.4671 25 C 4.5547 0.2290 2.1389 C.3 1 UNL1111111111 -0.3383 26 C 5.2605 -1.0368 1.6413 C.3 1 UNL1111111111 0.1684 27 C -4.5446 0.9231 -0.3302 C.3 1 UNL1111111111 -0.2674 28 C -3.0038 2.5514 0.8172 C.3 1 UNL1111111111 -0.4555 29 C -4.7850 0.1058 0.9448 C.3 1 UNL1111111111 -0.3541 30 C -6.1340 -0.5621 0.8656 C.2 1 UNL1111111111 0.5415 31 H 0.1252 -0.9798 -0.1177 H 1 UNL1111111111 0.1438 32 H 1.7000 0.8122 -2.0729 H 1 UNL1111111111 0.1490 33 H 2.2535 -0.3253 0.7549 H 1 UNL1111111111 0.1381 34 H -2.0921 -0.0500 0.5628 H 1 UNL1111111111 0.1496 35 H -0.3896 2.4542 1.1928 H 1 UNL1111111111 0.1418 36 H 2.0358 1.9467 1.6082 H 1 UNL1111111111 0.1560 37 H 1.7749 2.6200 -0.0073 H 1 UNL1111111111 0.1487 38 H 5.5511 -0.2718 -1.0345 H 1 UNL1111111111 0.1358 39 H -0.6182 -1.8887 -2.1802 H 1 UNL1111111111 0.1492 40 H -0.5220 -0.3533 -3.0454 H 1 UNL1111111111 0.1318 41 H 1.8268 -1.5239 -2.8276 H 1 UNL1111111111 0.1374 42 H -2.7397 0.0358 -2.4184 H 1 UNL1111111111 0.1343 43 H -2.7389 -1.3342 -1.3065 H 1 UNL1111111111 0.1323 44 H 4.0346 -0.5074 -2.8539 H 1 UNL1111111111 0.1469 45 H 4.2240 -2.1292 -2.1891 H 1 UNL1111111111 0.1588 46 H 4.0782 2.2069 1.3817 H 1 UNL1111111111 0.1434 47 H 5.5857 1.5463 0.7644 H 1 UNL1111111111 0.1394 48 H -0.9709 3.1021 -1.1822 H 1 UNL1111111111 0.1448 49 H 0.5525 2.4480 -1.7857 H 1 UNL1111111111 0.1453 50 H -0.9721 1.9069 -2.4845 H 1 UNL1111111111 0.1526 51 H -3.1003 2.1864 -1.3141 H 1 UNL1111111111 0.1329 52 H 3.5964 -1.9867 0.6511 H 1 UNL1111111111 0.1473 53 H 5.1661 -2.4735 0.0193 H 1 UNL1111111111 0.1555 54 H 5.0840 2.0388 -1.5258 H 1 UNL1111111111 0.1438 55 H 3.5521 1.6006 -2.2765 H 1 UNL1111111111 0.1484 56 H 3.5919 2.8235 -1.0062 H 1 UNL1111111111 0.1457 57 H 5.0592 0.6318 3.0355 H 1 UNL1111111111 0.1393 58 H 3.5240 -0.0153 2.4629 H 1 UNL1111111111 0.1605 59 H 6.3501 -0.8719 1.4985 H 1 UNL1111111111 0.1131 60 H 0.2355 -0.2557 1.6582 H 1 UNL1111111111 0.3145 61 H -4.6750 0.2803 -1.2227 H 1 UNL1111111111 0.1464 62 H -5.3241 1.7075 -0.4170 H 1 UNL1111111111 0.1492 63 H 2.3953 -2.3937 -0.2085 H 1 UNL1111111111 0.3177 64 H -3.9319 3.1014 1.0085 H 1 UNL1111111111 0.1470 65 H -2.2216 3.2955 0.6360 H 1 UNL1111111111 0.1371 66 H -2.7374 2.0165 1.7383 H 1 UNL1111111111 0.1590 67 H 5.3677 -1.8066 3.4775 H 1 UNL1111111111 0.3167 68 H -3.9695 -0.6250 1.1051 H 1 UNL1111111111 0.1644 69 H -4.7663 0.7738 1.8347 H 1 UNL1111111111 0.1844 70 H -5.4258 -2.3890 0.0411 H 1 UNL1111111111 0.3049 71 H -8.1013 -1.8497 0.1633 H 1 UNL1111111111 0.3136 @BOND 1 1 13 1 2 1 60 1 3 2 17 1 4 2 63 1 5 3 26 1 6 3 67 1 7 4 30 2 8 5 6 1 9 5 71 1 10 6 30 am 11 6 70 1 12 7 8 1 13 7 12 1 14 7 13 1 15 7 21 1 16 8 9 1 17 8 16 1 18 8 31 1 19 9 10 1 20 9 17 1 21 9 32 1 22 10 11 1 23 10 14 1 24 10 33 1 25 11 15 1 26 11 20 1 27 11 24 1 28 12 18 1 29 12 22 1 30 12 34 1 31 13 14 1 32 13 35 1 33 14 36 1 34 14 37 1 35 15 19 1 36 15 23 1 37 15 38 1 38 16 18 1 39 16 39 1 40 16 40 1 41 17 19 1 42 17 41 1 43 18 42 1 44 18 43 1 45 19 44 1 46 19 45 1 47 20 25 1 48 20 46 1 49 20 47 1 50 21 48 1 51 21 49 1 52 21 50 1 53 22 27 1 54 22 28 1 55 22 51 1 56 23 26 1 57 23 52 1 58 23 53 1 59 24 54 1 60 24 55 1 61 24 56 1 62 25 26 1 63 25 57 1 64 25 58 1 65 26 59 1 66 27 29 1 67 27 61 1 68 27 62 1 69 28 64 1 70 28 65 1 71 28 66 1 72 29 30 1 73 29 68 1 74 29 69 1