@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 -8.0659 -2.0789 0.6884 O.3 1 UNL1111111111 -0.5826 2 O 8.4632 -0.8176 -0.6669 O.3 1 UNL1111111111 -0.5773 3 O 5.1488 -2.5188 1.2790 O.3 1 UNL1111111111 -0.5457 4 C -0.5025 1.6608 -0.0228 C.3 1 UNL1111111111 0.0827 5 C -1.8850 1.2447 0.5548 C.3 1 UNL1111111111 -0.1409 6 C 0.4085 1.4742 1.2365 C.3 1 UNL1111111111 -0.1498 7 C -1.5542 0.0761 1.5282 C.3 1 UNL1111111111 -0.2762 8 C -0.0366 0.1233 1.8100 C.3 1 UNL1111111111 -0.2776 9 C -0.3893 3.1332 -0.4442 C.3 1 UNL1111111111 -0.3012 10 C -2.9520 0.8202 -0.4718 C.3 1 UNL1111111111 -0.1027 11 C 1.8319 1.6969 0.8459 C.2 1 UNL1111111111 0.0268 12 C -0.0797 0.7426 -1.1745 C.3 1 UNL1111111111 -0.4590 13 C 1.0728 3.4873 -0.7672 C.3 1 UNL1111111111 -0.2529 14 C 2.0526 3.1022 0.3576 C.3 1 UNL1111111111 -0.2881 15 C -3.4020 1.9945 -1.3522 C.3 1 UNL1111111111 -0.4477 16 C -4.1569 0.3022 0.2623 C.2 1 UNL1111111111 -0.1667 17 C 2.7834 0.7569 0.9168 C.2 1 UNL1111111111 -0.2296 18 C -4.6371 -0.9303 0.0776 C.2 1 UNL1111111111 -0.1694 19 C 4.1628 0.9461 0.4971 C.2 1 UNL1111111111 -0.1531 20 C -5.8413 -1.4437 0.7908 C.3 1 UNL1111111111 -0.3160 21 C 4.8663 0.0090 -0.1604 C.2 1 UNL1111111111 -0.0092 22 C -7.0098 -1.6999 -0.1836 C.3 1 UNL1111111111 0.3457 23 C 6.2874 0.2406 -0.5784 C.3 1 UNL1111111111 -0.3460 24 C 4.3317 -1.3064 -0.5254 C.2 1 UNL1111111111 0.0081 25 C 7.1675 -0.9277 -0.0998 C.3 1 UNL1111111111 0.1879 26 C 5.2041 -2.4810 -0.1398 C.3 1 UNL1111111111 0.1459 27 C 6.6443 -2.2722 -0.6200 C.3 1 UNL1111111111 -0.3716 28 C -7.4224 -0.4515 -0.9887 C.3 1 UNL1111111111 -0.3225 29 C -6.7259 -2.8754 -1.1288 C.3 1 UNL1111111111 -0.5141 30 C 3.1750 -1.4829 -1.1667 C.2 1 UNL1111111111 -0.3238 31 C -7.8770 0.6911 -0.0844 C.3 1 UNL1111111111 -0.4284 32 H -2.2884 2.1002 1.1427 H 1 UNL1111111111 0.1332 33 H 0.1376 2.2620 1.9891 H 1 UNL1111111111 0.1468 34 H -2.1371 0.1755 2.4562 H 1 UNL1111111111 0.1353 35 H -1.8377 -0.8948 1.0915 H 1 UNL1111111111 0.1422 36 H 0.1891 0.0384 2.8829 H 1 UNL1111111111 0.1380 37 H 0.4810 -0.7163 1.3164 H 1 UNL1111111111 0.1442 38 H -0.7689 3.7904 0.3587 H 1 UNL1111111111 0.1366 39 H -1.0243 3.3366 -1.3245 H 1 UNL1111111111 0.1380 40 H -2.5295 0.0218 -1.1301 H 1 UNL1111111111 0.1438 41 H -0.2285 -0.3125 -0.9185 H 1 UNL1111111111 0.1498 42 H -0.6479 0.9553 -2.0848 H 1 UNL1111111111 0.1403 43 H 0.9841 0.8667 -1.4126 H 1 UNL1111111111 0.1536 44 H 1.1546 4.5712 -0.9695 H 1 UNL1111111111 0.1298 45 H 1.3767 2.9810 -1.7039 H 1 UNL1111111111 0.1399 46 H 3.0890 3.2474 -0.0043 H 1 UNL1111111111 0.1442 47 H 1.9337 3.8010 1.2117 H 1 UNL1111111111 0.1468 48 H -3.6939 2.8618 -0.7511 H 1 UNL1111111111 0.1447 49 H -2.6036 2.3105 -2.0319 H 1 UNL1111111111 0.1442 50 H -4.2650 1.7137 -1.9671 H 1 UNL1111111111 0.1459 51 H -4.6140 1.0095 0.9501 H 1 UNL1111111111 0.1457 52 H 2.5564 -0.2456 1.2945 H 1 UNL1111111111 0.1713 53 H -4.1724 -1.6357 -0.6083 H 1 UNL1111111111 0.1425 54 H 4.6135 1.9043 0.7602 H 1 UNL1111111111 0.1488 55 H -6.1880 -0.7482 1.5839 H 1 UNL1111111111 0.1640 56 H -5.6051 -2.3855 1.3301 H 1 UNL1111111111 0.1619 57 H 6.6793 1.1986 -0.1901 H 1 UNL1111111111 0.1462 58 H 6.3461 0.3210 -1.6851 H 1 UNL1111111111 0.1671 59 H 7.2673 -0.9295 1.0080 H 1 UNL1111111111 0.1254 60 H 4.7935 -3.4487 -0.5091 H 1 UNL1111111111 0.1217 61 H 6.6950 -2.2916 -1.7264 H 1 UNL1111111111 0.1705 62 H 7.3060 -3.0908 -0.2841 H 1 UNL1111111111 0.1569 63 H -6.5678 -0.1234 -1.6120 H 1 UNL1111111111 0.1513 64 H -8.2305 -0.7147 -1.6954 H 1 UNL1111111111 0.1352 65 H -6.5092 -3.7855 -0.5558 H 1 UNL1111111111 0.1626 66 H -5.8664 -2.6725 -1.7746 H 1 UNL1111111111 0.1554 67 H -7.5836 -3.0947 -1.7711 H 1 UNL1111111111 0.1465 68 H -8.8999 -2.1983 0.2023 H 1 UNL1111111111 0.3153 69 H 2.7745 -2.4467 -1.4371 H 1 UNL1111111111 0.1473 70 H 2.5369 -0.6630 -1.4651 H 1 UNL1111111111 0.1579 71 H -8.5959 0.3411 0.6684 H 1 UNL1111111111 0.1557 72 H -8.3541 1.4906 -0.6600 H 1 UNL1111111111 0.1368 73 H -7.0316 1.1325 0.4571 H 1 UNL1111111111 0.1457 74 H 8.8836 0.0257 -0.4223 H 1 UNL1111111111 0.3162 75 H 5.8342 -3.1151 1.6345 H 1 UNL1111111111 0.3098 @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