@MOLECULE (17beta)-4-fluoro-17-hydroxyestr-4-en-3-one 46 49 0 0 0 SMALL GASTEIGER @ATOM 1 F -4.0209 -1.7098 -0.4027 F 1 UNL1111111111 -0.1434 2 O 5.1325 0.8642 -0.3393 O.3 1 UNL1111111111 -0.5576 3 O -5.0509 0.6346 -1.1197 O.2 1 UNL1111111111 -0.4107 4 C 1.8914 -0.7121 -0.3687 C.3 1 UNL1111111111 -0.1510 5 C 2.7863 0.5140 -0.0227 C.3 1 UNL1111111111 0.0507 6 C 0.6370 -0.7208 0.4992 C.3 1 UNL1111111111 -0.1253 7 C -0.1713 0.5598 0.1358 C.3 1 UNL1111111111 -0.1101 8 C 2.0142 1.7785 -0.4077 C.3 1 UNL1111111111 -0.2947 9 C 4.0253 0.1979 -0.9057 C.3 1 UNL1111111111 0.1308 10 C 2.8578 -1.9045 -0.2905 C.3 1 UNL1111111111 -0.2712 11 C 0.6730 1.8288 0.3472 C.3 1 UNL1111111111 -0.2780 12 C -1.4599 0.5772 0.9993 C.3 1 UNL1111111111 -0.1358 13 C -0.1955 -1.9879 0.2481 C.3 1 UNL1111111111 -0.2728 14 C 4.1917 -1.3435 -0.8359 C.3 1 UNL1111111111 -0.3342 15 C 3.2269 0.5826 1.4420 C.3 1 UNL1111111111 -0.4415 16 C -1.5207 -1.9350 1.0301 C.3 1 UNL1111111111 -0.2830 17 C -2.2170 -0.6746 0.6398 C.2 1 UNL1111111111 0.0197 18 C -2.3274 1.8357 0.8285 C.3 1 UNL1111111111 -0.2720 19 C -3.0959 1.8506 -0.4914 C.3 1 UNL1111111111 -0.3742 20 C -3.3507 -0.6170 -0.0736 C.2 1 UNL1111111111 -0.0342 21 C -3.9627 0.6221 -0.6054 C.2 1 UNL1111111111 0.4517 22 H 1.5659 -0.6167 -1.4371 H 1 UNL1111111111 0.1400 23 H 0.9173 -0.6857 1.5764 H 1 UNL1111111111 0.1438 24 H -0.4628 0.5048 -0.9394 H 1 UNL1111111111 0.1423 25 H 1.8363 1.8095 -1.4977 H 1 UNL1111111111 0.1367 26 H 2.6149 2.6779 -0.1749 H 1 UNL1111111111 0.1497 27 H 3.9028 0.5601 -1.9449 H 1 UNL1111111111 0.1106 28 H 0.1068 2.7162 0.0054 H 1 UNL1111111111 0.1372 29 H 0.8600 1.9830 1.4262 H 1 UNL1111111111 0.1413 30 H 2.5017 -2.7615 -0.8817 H 1 UNL1111111111 0.1364 31 H 2.9691 -2.2633 0.7452 H 1 UNL1111111111 0.1416 32 H -1.1564 0.5248 2.0773 H 1 UNL1111111111 0.1534 33 H 0.3810 -2.8831 0.5449 H 1 UNL1111111111 0.1426 34 H -0.4036 -2.1039 -0.8324 H 1 UNL1111111111 0.1480 35 H 4.4287 -1.7646 -1.8226 H 1 UNL1111111111 0.1375 36 H 5.0296 -1.6040 -0.1682 H 1 UNL1111111111 0.1528 37 H 2.3840 0.7010 2.1273 H 1 UNL1111111111 0.1374 38 H 3.7798 -0.3160 1.7376 H 1 UNL1111111111 0.1495 39 H 3.9078 1.4326 1.5955 H 1 UNL1111111111 0.1627 40 H -1.3279 -1.9563 2.1222 H 1 UNL1111111111 0.1542 41 H -2.1185 -2.8443 0.8248 H 1 UNL1111111111 0.1618 42 H -1.7060 2.7470 0.9165 H 1 UNL1111111111 0.1500 43 H -3.0460 1.8929 1.6732 H 1 UNL1111111111 0.1494 44 H 5.9495 0.6528 -0.8288 H 1 UNL1111111111 0.3107 45 H -2.4002 1.8840 -1.3559 H 1 UNL1111111111 0.1730 46 H -3.7157 2.7665 -0.5771 H 1 UNL1111111111 0.1741 @BOND 1 1 20 1 2 2 9 1 3 2 44 1 4 3 21 2 5 4 5 1 6 4 6 1 7 4 10 1 8 4 22 1 9 5 8 1 10 5 9 1 11 5 15 1 12 6 7 1 13 6 13 1 14 6 23 1 15 7 11 1 16 7 12 1 17 7 24 1 18 8 11 1 19 8 25 1 20 8 26 1 21 9 14 1 22 9 27 1 23 10 14 1 24 10 30 1 25 10 31 1 26 11 28 1 27 11 29 1 28 12 17 1 29 12 18 1 30 12 32 1 31 13 16 1 32 13 33 1 33 13 34 1 34 14 35 1 35 14 36 1 36 15 37 1 37 15 38 1 38 15 39 1 39 16 17 1 40 16 40 1 41 16 41 1 42 17 20 2 43 18 19 1 44 18 42 1 45 18 43 1 46 19 21 1 47 19 45 1 48 19 46 1 49 20 21 1