@MOLECULE 1-fluoro-4-{2-[4-(methylsulfonyl)phenyl]-1-cyclopenten-1-yl}benzene 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.1471 0.4812 0.1115 S.O2 1 UNL1111111111 2.2368 2 F 3.2562 4.1071 -0.1880 F 1 UNL1111111111 -0.1738 3 O -5.0298 -0.3473 -0.6852 O.2 1 UNL1111111111 -0.9182 4 O -4.4746 0.8162 1.4815 O.2 1 UNL1111111111 -0.9108 5 C 3.0315 -3.7265 0.0056 C.3 1 UNL1111111111 -0.2535 6 C 1.4963 -3.5198 0.0382 C.3 1 UNL1111111111 -0.2639 7 C 3.6578 -2.3104 -0.0329 C.3 1 UNL1111111111 -0.2623 8 C 1.3081 -2.0274 0.0248 C.2 1 UNL1111111111 -0.0684 9 C 2.4827 -1.3699 -0.0117 C.2 1 UNL1111111111 -0.0262 10 C -0.0224 -1.4414 0.0578 C.ar 1 UNL1111111111 0.0428 11 C 2.6854 0.0700 -0.0523 C.ar 1 UNL1111111111 -0.0473 12 C -0.9787 -1.8064 -0.8947 C.ar 1 UNL1111111111 -0.1949 13 C -0.3456 -0.5034 1.0445 C.ar 1 UNL1111111111 -0.1854 14 C -2.5510 -0.2709 0.0999 C.ar 1 UNL1111111111 -0.3993 15 C 3.4840 0.6942 0.9119 C.ar 1 UNL1111111111 -0.1076 16 C 2.0746 0.8286 -1.0581 C.ar 1 UNL1111111111 -0.1117 17 C -2.2420 -1.2211 -0.8703 C.ar 1 UNL1111111111 -0.0661 18 C -1.6111 0.0753 1.0681 C.ar 1 UNL1111111111 -0.0654 19 C 3.6811 2.0714 0.8780 C.ar 1 UNL1111111111 -0.2165 20 C 2.2615 2.2060 -1.1145 C.ar 1 UNL1111111111 -0.2204 21 C 3.0658 2.7969 -0.1410 C.ar 1 UNL1111111111 0.2030 22 C -3.9098 2.0135 -0.7716 C.3 1 UNL1111111111 -0.7554 23 H 3.3319 -4.3156 -0.8739 H 1 UNL1111111111 0.1379 24 H 3.3721 -4.2852 0.8905 H 1 UNL1111111111 0.1386 25 H 1.0444 -3.9701 0.9401 H 1 UNL1111111111 0.1533 26 H 1.0036 -3.9979 -0.8261 H 1 UNL1111111111 0.1485 27 H 4.2696 -2.1600 -0.9401 H 1 UNL1111111111 0.1524 28 H 4.3287 -2.1387 0.8262 H 1 UNL1111111111 0.1486 29 H -0.7330 -2.5438 -1.6555 H 1 UNL1111111111 0.1560 30 H 0.3971 -0.2306 1.7925 H 1 UNL1111111111 0.1615 31 H 3.9496 0.0980 1.6967 H 1 UNL1111111111 0.1606 32 H 1.4492 0.3321 -1.8008 H 1 UNL1111111111 0.1613 33 H -2.9867 -1.5276 -1.6146 H 1 UNL1111111111 0.1734 34 H -1.8551 0.7903 1.8617 H 1 UNL1111111111 0.1705 35 H 4.3000 2.5634 1.6258 H 1 UNL1111111111 0.1748 36 H 1.7934 2.7991 -1.8974 H 1 UNL1111111111 0.1738 37 H -3.4023 1.8707 -1.7307 H 1 UNL1111111111 0.1788 38 H -4.8758 2.4868 -0.9958 H 1 UNL1111111111 0.1902 39 H -3.3333 2.7402 -0.1875 H 1 UNL1111111111 0.1842 @BOND 1 1 3 2 2 1 4 2 3 1 14 1 4 1 22 1 5 2 21 1 6 5 6 1 7 5 7 1 8 5 23 1 9 5 24 1 10 6 8 1 11 6 25 1 12 6 26 1 13 7 9 1 14 7 27 1 15 7 28 1 16 8 9 2 17 8 10 1 18 9 11 1 19 10 12 ar 20 10 13 ar 21 11 15 ar 22 11 16 ar 23 12 17 ar 24 12 29 1 25 13 18 ar 26 13 30 1 27 14 17 ar 28 14 18 ar 29 15 19 ar 30 15 31 1 31 16 20 ar 32 16 32 1 33 17 33 1 34 18 34 1 35 19 21 ar 36 19 35 1 37 20 21 ar 38 20 36 1 39 22 37 1 40 22 38 1 41 22 39 1