@MOLECULE 5-fluoro-2-(4-methyl-1-piperazinyl)benzoic acid 32 33 0 0 0 SMALL GASTEIGER @ATOM 1 F 4.6502 -0.8807 -0.1589 F 1 UNL1111111111 -0.1625 2 O 0.4644 2.5242 -0.8807 O.3 1 UNL1111111111 -0.5604 3 O 0.6861 2.5864 1.3376 O.2 1 UNL1111111111 -0.4717 4 N -0.8310 -0.2872 0.1388 N.pl3 1 UNL1111111111 -0.4305 5 N -3.6450 -0.6388 -0.2274 N.3 1 UNL1111111111 -0.4012 6 C -1.5565 -1.3720 0.8404 C.3 1 UNL1111111111 -0.1104 7 C -1.4620 0.0007 -1.1753 C.3 1 UNL1111111111 -0.1094 8 C -3.0055 -0.8888 1.0882 C.3 1 UNL1111111111 -0.1237 9 C -2.9216 0.4493 -0.9316 C.3 1 UNL1111111111 -0.1243 10 C 0.5779 -0.5028 0.0228 C.ar 1 UNL1111111111 0.1806 11 C -5.0712 -0.2912 -0.0539 C.3 1 UNL1111111111 -0.2834 12 C 1.4026 0.6318 0.1054 C.ar 1 UNL1111111111 -0.1141 13 C 1.1658 -1.7712 -0.1088 C.ar 1 UNL1111111111 -0.2028 14 C 2.7888 0.5183 0.0405 C.ar 1 UNL1111111111 -0.1527 15 C 2.5474 -1.9070 -0.1673 C.ar 1 UNL1111111111 -0.1593 16 C 3.3329 -0.7565 -0.0960 C.ar 1 UNL1111111111 0.1550 17 C 0.8179 1.9735 0.3145 C.2 1 UNL1111111111 0.6641 18 H -1.0543 -1.5660 1.8122 H 1 UNL1111111111 0.1453 19 H -1.5799 -2.3223 0.2641 H 1 UNL1111111111 0.1316 20 H -1.4472 -0.8851 -1.8466 H 1 UNL1111111111 0.1336 21 H -0.8958 0.8170 -1.6774 H 1 UNL1111111111 0.1602 22 H -3.5729 -1.6841 1.6149 H 1 UNL1111111111 0.1381 23 H -2.9947 0.0092 1.7433 H 1 UNL1111111111 0.1342 24 H -2.9307 1.4081 -0.3701 H 1 UNL1111111111 0.1301 25 H -3.4167 0.6270 -1.9097 H 1 UNL1111111111 0.1394 26 H -5.5279 -0.1410 -1.0463 H 1 UNL1111111111 0.1464 27 H -5.2533 0.6069 0.5546 H 1 UNL1111111111 0.1223 28 H -5.5926 -1.1426 0.4151 H 1 UNL1111111111 0.1467 29 H 0.5355 -2.6572 -0.1764 H 1 UNL1111111111 0.1683 30 H 3.4264 1.4021 0.1022 H 1 UNL1111111111 0.1844 31 H 3.0038 -2.8916 -0.2710 H 1 UNL1111111111 0.1745 32 H 0.0716 3.4271 -0.7935 H 1 UNL1111111111 0.3516 @BOND 1 1 16 1 2 2 17 1 3 2 32 1 4 3 17 2 5 4 6 1 6 4 7 1 7 4 10 1 8 5 8 1 9 5 9 1 10 5 11 1 11 6 8 1 12 6 18 1 13 6 19 1 14 7 9 1 15 7 20 1 16 7 21 1 17 8 22 1 18 8 23 1 19 9 24 1 20 9 25 1 21 10 12 ar 22 10 13 ar 23 11 26 1 24 11 27 1 25 11 28 1 26 12 14 ar 27 12 17 1 28 13 15 ar 29 13 29 1 30 14 16 ar 31 14 30 1 32 15 16 ar 33 15 31 1