@MOLECULE (10xi,17beta)-3-oxo-5,10-epoxyestran-17-yl acetate 52 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6628 0.1569 1.2873 O.3 1 UNL1111111111 -0.3792 2 O 4.3253 0.1478 0.4289 O.3 1 UNL1111111111 -0.4428 3 O -6.4827 0.6605 -0.4095 O.2 1 UNL1111111111 -0.4724 4 O 5.5232 1.0415 -1.2564 O.2 1 UNL1111111111 -0.5165 5 C -2.3893 0.4727 -0.0802 C.3 1 UNL1111111111 0.1358 6 C -3.1863 -0.7432 0.2980 C.3 1 UNL1111111111 0.1570 7 C -0.9461 0.3368 -0.5214 C.3 1 UNL1111111111 -0.1422 8 C -0.3526 -0.9916 0.0212 C.3 1 UNL1111111111 -0.1146 9 C 1.0735 -1.0849 -0.5106 C.3 1 UNL1111111111 -0.1461 10 C 1.9380 0.0685 0.0809 C.3 1 UNL1111111111 0.0413 11 C -2.5652 -2.1226 0.3218 C.3 1 UNL1111111111 -0.2985 12 C -1.2310 -2.1630 -0.4323 C.3 1 UNL1111111111 -0.2795 13 C -0.1004 1.5396 -0.0604 C.3 1 UNL1111111111 -0.2684 14 C -3.1286 1.6801 -0.6134 C.3 1 UNL1111111111 -0.2865 15 C 1.3825 1.3931 -0.4495 C.3 1 UNL1111111111 -0.2923 16 C -4.6881 -0.7479 0.1740 C.3 1 UNL1111111111 -0.4176 17 C 1.8997 -2.3475 -0.2208 C.3 1 UNL1111111111 -0.2739 18 C 3.3314 -0.3398 -0.4706 C.3 1 UNL1111111111 0.1044 19 C 3.3642 -1.8860 -0.4046 C.3 1 UNL1111111111 -0.3112 20 C -4.4848 1.8363 0.0727 C.3 1 UNL1111111111 -0.3685 21 C -5.3203 0.5967 -0.0928 C.2 1 UNL1111111111 0.5003 22 C 1.9932 0.0903 1.6109 C.3 1 UNL1111111111 -0.4449 23 C 5.3793 0.8298 -0.0802 C.2 1 UNL1111111111 0.6291 24 C 6.2788 1.2475 1.0342 C.3 1 UNL1111111111 -0.5112 25 H -0.9315 0.3001 -1.6399 H 1 UNL1111111111 0.1476 26 H -0.3468 -0.9615 1.1380 H 1 UNL1111111111 0.1608 27 H 1.0334 -0.9626 -1.6238 H 1 UNL1111111111 0.1401 28 H -3.2540 -2.8790 -0.0999 H 1 UNL1111111111 0.1489 29 H -2.4058 -2.4186 1.3819 H 1 UNL1111111111 0.1625 30 H -0.7191 -3.1240 -0.2399 H 1 UNL1111111111 0.1425 31 H -1.4000 -2.1238 -1.5239 H 1 UNL1111111111 0.1418 32 H -0.1955 1.6562 1.0369 H 1 UNL1111111111 0.1525 33 H -0.4967 2.4740 -0.4995 H 1 UNL1111111111 0.1349 34 H -3.2553 1.5824 -1.7110 H 1 UNL1111111111 0.1560 35 H -2.5310 2.6019 -0.4576 H 1 UNL1111111111 0.1592 36 H 1.4922 1.4488 -1.5483 H 1 UNL1111111111 0.1408 37 H 1.9625 2.2436 -0.0463 H 1 UNL1111111111 0.1455 38 H -5.1361 -1.1588 1.1095 H 1 UNL1111111111 0.1906 39 H -5.0067 -1.4510 -0.6285 H 1 UNL1111111111 0.1858 40 H 1.6439 -3.1728 -0.9007 H 1 UNL1111111111 0.1355 41 H 1.7218 -2.7169 0.8019 H 1 UNL1111111111 0.1431 42 H 3.5100 0.0455 -1.4936 H 1 UNL1111111111 0.1475 43 H 3.9962 -2.2190 0.4358 H 1 UNL1111111111 0.1556 44 H 3.8110 -2.3104 -1.3157 H 1 UNL1111111111 0.1438 45 H -5.0256 2.7213 -0.3202 H 1 UNL1111111111 0.1720 46 H -4.3416 2.0264 1.1614 H 1 UNL1111111111 0.1867 47 H 2.6327 0.9085 1.9647 H 1 UNL1111111111 0.1521 48 H 1.0037 0.2282 2.0597 H 1 UNL1111111111 0.1488 49 H 2.4123 -0.8394 2.0122 H 1 UNL1111111111 0.1508 50 H 6.6102 0.3832 1.6302 H 1 UNL1111111111 0.1840 51 H 5.7660 1.9352 1.7244 H 1 UNL1111111111 0.1842 52 H 7.1729 1.7583 0.6444 H 1 UNL1111111111 0.1845 @BOND 1 1 5 1 2 1 6 1 3 2 18 1 4 2 23 1 5 3 21 2 6 4 23 2 7 5 6 1 8 5 7 1 9 5 14 1 10 6 11 1 11 6 16 1 12 7 8 1 13 7 13 1 14 7 25 1 15 8 9 1 16 8 12 1 17 8 26 1 18 9 10 1 19 9 17 1 20 9 27 1 21 10 15 1 22 10 18 1 23 10 22 1 24 11 12 1 25 11 28 1 26 11 29 1 27 12 30 1 28 12 31 1 29 13 15 1 30 13 32 1 31 13 33 1 32 14 20 1 33 14 34 1 34 14 35 1 35 15 36 1 36 15 37 1 37 16 21 1 38 16 38 1 39 16 39 1 40 17 19 1 41 17 40 1 42 17 41 1 43 18 19 1 44 18 42 1 45 19 43 1 46 19 44 1 47 20 21 1 48 20 45 1 49 20 46 1 50 22 47 1 51 22 48 1 52 22 49 1 53 23 24 1 54 24 50 1 55 24 51 1 56 24 52 1