@MOLECULE 27-nor-9,10-secocholesta-5,7,10(19),22-tetraene-1,3,25-triol, 25-ethyl-, (1alpha,3beta,5z,7e,22e,25s)- 75 77 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.4277 -1.5476 2.1364 O.3 1 UNL1111111111 -0.5837 2 O 7.1943 -1.3656 -1.4040 O.3 1 UNL1111111111 -0.5719 3 O 6.9316 1.8900 1.2864 O.3 1 UNL1111111111 -0.5648 4 C -1.0046 0.4695 -0.5352 C.3 1 UNL1111111111 0.0864 5 C -1.8356 1.7584 -0.7990 C.3 1 UNL1111111111 -0.1432 6 C 0.3696 0.9017 -1.1454 C.3 1 UNL1111111111 -0.1591 7 C -0.8374 2.9011 -0.4598 C.3 1 UNL1111111111 -0.2775 8 C 0.5888 2.2983 -0.5470 C.3 1 UNL1111111111 -0.2734 9 C -1.4905 -0.7716 -1.2941 C.3 1 UNL1111111111 -0.3032 10 C -3.1647 1.8697 -0.0283 C.3 1 UNL1111111111 -0.0946 11 C 1.3927 -0.1730 -0.9799 C.2 1 UNL1111111111 0.0484 12 C -0.8944 0.1685 0.9620 C.3 1 UNL1111111111 -0.4582 13 C -0.4499 -1.8955 -1.1778 C.3 1 UNL1111111111 -0.2528 14 C 0.9469 -1.4491 -1.6419 C.3 1 UNL1111111111 -0.2937 15 C -3.8693 3.1939 -0.3684 C.3 1 UNL1111111111 -0.4470 16 C -4.0806 0.7472 -0.4234 C.2 1 UNL1111111111 -0.1919 17 C 2.5857 -0.0028 -0.3865 C.2 1 UNL1111111111 -0.2390 18 C -4.6345 -0.0919 0.4551 C.2 1 UNL1111111111 -0.1462 19 C 3.5844 -1.0494 -0.2675 C.2 1 UNL1111111111 -0.1615 20 C -5.4752 -1.2528 0.0349 C.3 1 UNL1111111111 -0.3114 21 C 4.7636 -0.9235 0.3626 C.2 1 UNL1111111111 -0.0164 22 C -6.8181 -1.3087 0.7902 C.3 1 UNL1111111111 0.3442 23 C 5.7396 -2.0616 0.4354 C.3 1 UNL1111111111 -0.3499 24 C 5.2264 0.3021 1.0224 C.2 1 UNL1111111111 -0.0214 25 C 7.1480 -1.6345 -0.0128 C.3 1 UNL1111111111 0.1788 26 C 6.5632 0.7656 0.5018 C.3 1 UNL1111111111 0.1632 27 C 7.6190 -0.3410 0.6612 C.3 1 UNL1111111111 -0.3641 28 C -7.6032 0.0154 0.7490 C.3 1 UNL1111111111 -0.3202 29 C -7.6599 -2.5026 0.3164 C.3 1 UNL1111111111 -0.5150 30 C 4.5528 0.9318 1.9859 C.2 1 UNL1111111111 -0.2996 31 C -8.0712 0.3851 -0.6564 C.3 1 UNL1111111111 -0.4298 32 H -2.0700 1.8045 -1.8884 H 1 UNL1111111111 0.1317 33 H 0.2297 1.0324 -2.2541 H 1 UNL1111111111 0.1469 34 H -1.0259 3.3030 0.5467 H 1 UNL1111111111 0.1375 35 H -0.9572 3.7382 -1.1630 H 1 UNL1111111111 0.1314 36 H 1.2589 2.9105 -1.1662 H 1 UNL1111111111 0.1362 37 H 1.0527 2.2394 0.4520 H 1 UNL1111111111 0.1450 38 H -1.6755 -0.5315 -2.3558 H 1 UNL1111111111 0.1333 39 H -2.4633 -1.1178 -0.8934 H 1 UNL1111111111 0.1506 40 H -2.9582 1.8446 1.0689 H 1 UNL1111111111 0.1448 41 H -0.6701 1.0750 1.5345 H 1 UNL1111111111 0.1478 42 H -0.0924 -0.5507 1.1654 H 1 UNL1111111111 0.1534 43 H -1.8284 -0.2477 1.3529 H 1 UNL1111111111 0.1484 44 H -0.7761 -2.7694 -1.7698 H 1 UNL1111111111 0.1287 45 H -0.3947 -2.2438 -0.1275 H 1 UNL1111111111 0.1435 46 H 1.6619 -2.2768 -1.4628 H 1 UNL1111111111 0.1414 47 H 0.9451 -1.2919 -2.7413 H 1 UNL1111111111 0.1482 48 H -3.9886 3.3184 -1.4496 H 1 UNL1111111111 0.1424 49 H -3.3043 4.0556 0.0062 H 1 UNL1111111111 0.1426 50 H -4.8694 3.2308 0.0820 H 1 UNL1111111111 0.1458 51 H -4.2558 0.6619 -1.4935 H 1 UNL1111111111 0.1412 52 H 2.8597 0.9680 0.0380 H 1 UNL1111111111 0.1675 53 H -4.4843 -0.0065 1.5351 H 1 UNL1111111111 0.1614 54 H 3.3304 -2.0029 -0.7403 H 1 UNL1111111111 0.1433 55 H -4.9126 -2.1888 0.2513 H 1 UNL1111111111 0.1658 56 H -5.6680 -1.2540 -1.0540 H 1 UNL1111111111 0.1467 57 H 5.7853 -2.4346 1.4823 H 1 UNL1111111111 0.1659 58 H 5.4014 -2.9280 -0.1672 H 1 UNL1111111111 0.1484 59 H 7.8762 -2.4605 0.1622 H 1 UNL1111111111 0.1158 60 H 6.4849 1.0935 -0.5624 H 1 UNL1111111111 0.1414 61 H 7.8216 -0.5137 1.7347 H 1 UNL1111111111 0.1617 62 H 8.5746 -0.0177 0.2059 H 1 UNL1111111111 0.1576 63 H -8.4661 -0.0415 1.4319 H 1 UNL1111111111 0.1353 64 H -6.9522 0.8205 1.1515 H 1 UNL1111111111 0.1603 65 H -8.6299 -2.5393 0.8201 H 1 UNL1111111111 0.1482 66 H -7.1429 -3.4458 0.5276 H 1 UNL1111111111 0.1606 67 H -7.8494 -2.4601 -0.7626 H 1 UNL1111111111 0.1553 68 H -7.1980 -1.6403 2.7216 H 1 UNL1111111111 0.3138 69 H 4.9156 1.8297 2.4679 H 1 UNL1111111111 0.1650 70 H 3.6023 0.5947 2.3646 H 1 UNL1111111111 0.1482 71 H -8.6259 1.3316 -0.6489 H 1 UNL1111111111 0.1426 72 H -8.7359 -0.3760 -1.0763 H 1 UNL1111111111 0.1410 73 H -7.2275 0.5104 -1.3396 H 1 UNL1111111111 0.1483 74 H 6.5467 -1.9039 -1.8977 H 1 UNL1111111111 0.3208 75 H 7.8071 2.2226 1.0204 H 1 UNL1111111111 0.3130 @BOND 1 1 22 1 2 1 68 1 3 2 25 1 4 2 74 1 5 3 26 1 6 3 75 1 7 4 5 1 8 4 6 1 9 4 9 1 10 4 12 1 11 5 7 1 12 5 10 1 13 5 32 1 14 6 8 1 15 6 11 1 16 6 33 1 17 7 8 1 18 7 34 1 19 7 35 1 20 8 36 1 21 8 37 1 22 9 13 1 23 9 38 1 24 9 39 1 25 10 15 1 26 10 16 1 27 10 40 1 28 11 14 1 29 11 17 2 30 12 41 1 31 12 42 1 32 12 43 1 33 13 14 1 34 13 44 1 35 13 45 1 36 14 46 1 37 14 47 1 38 15 48 1 39 15 49 1 40 15 50 1 41 16 18 2 42 16 51 1 43 17 19 1 44 17 52 1 45 18 20 1 46 18 53 1 47 19 21 2 48 19 54 1 49 20 22 1 50 20 55 1 51 20 56 1 52 21 23 1 53 21 24 1 54 22 28 1 55 22 29 1 56 23 25 1 57 23 57 1 58 23 58 1 59 24 26 1 60 24 30 2 61 25 27 1 62 25 59 1 63 26 27 1 64 26 60 1 65 27 61 1 66 27 62 1 67 28 31 1 68 28 63 1 69 28 64 1 70 29 65 1 71 29 66 1 72 29 67 1 73 30 69 1 74 30 70 1 75 31 71 1 76 31 72 1 77 31 73 1