@MOLECULE (8xi,9xi,14xi,17alpha)-2-methoxyestra-1(10),2,4-triene-3,17-diol 48 51 0 0 0 SMALL USER_CHARGES @ATOM 1 O -5.4604 -0.0105 0.5472 O.3 1 UNL11111111 -0.5631 2 O 4.2924 -1.8719 -0.0826 O.3 1 UNL11111111 -0.3039 3 O 5.2790 0.8229 0.1526 O.3 1 UNL11111111 -0.4800 4 C -3.0916 -0.2844 0.5936 C.3 1 UNL11111111 0.0607 5 C -2.6120 0.5260 -0.6378 C.3 1 UNL11111111 -0.1353 6 C -1.1101 0.8372 -0.7150 C.3 1 UNL11111111 -0.1161 7 C -0.2330 -0.3655 -0.3147 C.3 1 UNL11111111 -0.1069 8 C -4.4454 -0.8989 0.1146 C.3 1 UNL11111111 0.1283 9 C -2.1348 -1.4442 0.9267 C.3 1 UNL11111111 -0.2956 10 C -3.0830 -0.3013 -1.8555 C.3 1 UNL11111111 -0.2745 11 C -0.6857 -0.9677 1.0283 C.3 1 UNL11111111 -0.2607 12 C -4.4032 -0.9600 -1.4260 C.3 1 UNL11111111 -0.3366 13 C -0.7493 2.0603 0.1420 C.3 1 UNL11111111 -0.2736 14 C -3.3132 0.5962 1.8208 C.3 1 UNL11111111 -0.4490 15 C 1.2208 0.0111 -0.2124 C.ar 1 UNL11111111 -0.0218 16 C 0.6911 2.4882 -0.1570 C.3 1 UNL11111111 -0.2711 17 C 1.6475 1.3371 -0.1074 C.ar 1 UNL11111111 0.0064 18 C 2.1591 -1.0245 -0.2031 C.ar 1 UNL11111111 -0.2265 19 C 3.0121 1.6193 0.0160 C.ar 1 UNL11111111 -0.2735 20 C 3.5224 -0.7524 -0.0767 C.ar 1 UNL11111111 0.1580 21 C 3.9397 0.5846 0.0328 C.ar 1 UNL11111111 0.1536 22 C 5.6926 -1.7052 0.0998 C.3 1 UNL11111111 -0.1913 23 H -3.1713 1.4943 -0.6410 H 1 UNL11111111 0.1454 24 H -0.8724 1.0886 -1.7813 H 1 UNL11111111 0.1374 25 H -0.3471 -1.1484 -1.1086 H 1 UNL11111111 0.1434 26 H -4.6525 -1.8817 0.5799 H 1 UNL11111111 0.1096 27 H -2.2098 -2.2297 0.1502 H 1 UNL11111111 0.1382 28 H -2.4418 -1.9222 1.8755 H 1 UNL11111111 0.1380 29 H -2.3341 -1.0654 -2.1237 H 1 UNL11111111 0.1393 30 H -3.2119 0.3339 -2.7443 H 1 UNL11111111 0.1343 31 H -0.5734 -0.2225 1.8375 H 1 UNL11111111 0.1460 32 H -0.0268 -1.8115 1.3077 H 1 UNL11111111 0.1393 33 H -5.2647 -0.4186 -1.8537 H 1 UNL11111111 0.1473 34 H -4.4732 -1.9947 -1.7921 H 1 UNL11111111 0.1379 35 H -0.8602 1.8223 1.2167 H 1 UNL11111111 0.1480 36 H -1.4442 2.8953 -0.0573 H 1 UNL11111111 0.1343 37 H -3.9562 1.4553 1.5847 H 1 UNL11111111 0.1601 38 H -3.8208 0.0414 2.6188 H 1 UNL11111111 0.1497 39 H -2.3708 0.9807 2.2217 H 1 UNL11111111 0.1417 40 H 0.9975 3.2806 0.5556 H 1 UNL11111111 0.1446 41 H 0.7430 2.9554 -1.1647 H 1 UNL11111111 0.1503 42 H -6.3236 -0.2632 0.1733 H 1 UNL11111111 0.3077 43 H 1.8392 -2.0625 -0.2915 H 1 UNL11111111 0.1740 44 H 3.3472 2.6490 0.0981 H 1 UNL11111111 0.1578 45 H 5.4660 1.7903 0.2156 H 1 UNL11111111 0.3237 46 H 6.0514 -2.7418 0.0881 H 1 UNL11111111 0.1408 47 H 5.9083 -1.2287 1.0616 H 1 UNL11111111 0.1417 48 H 6.1259 -1.1339 -0.7280 H 1 UNL11111111 0.1423 @BOND 1 30 10 1 2 29 10 1 3 10 12 1 4 10 5 1 5 33 12 1 6 34 12 1 7 24 6 1 8 12 8 1 9 41 16 1 10 25 7 1 11 48 22 1 12 6 5 1 13 6 7 1 14 6 13 1 15 23 5 1 16 5 4 1 17 7 15 1 18 7 11 1 19 43 18 1 20 15 18 ar 21 15 17 ar 22 18 20 ar 23 16 17 1 24 16 13 1 25 16 40 1 26 17 19 ar 27 2 20 1 28 2 22 1 29 20 21 ar 30 36 13 1 31 19 21 ar 32 19 44 1 33 21 3 1 34 46 22 1 35 22 47 1 36 8 1 1 37 8 26 1 38 8 4 1 39 13 35 1 40 27 9 1 41 3 45 1 42 42 1 1 43 4 9 1 44 4 14 1 45 9 11 1 46 9 28 1 47 11 32 1 48 11 31 1 49 37 14 1 50 14 39 1 51 14 38 1