@MOLECULE 2-(4-{4-[(6-amino-3-pyridinyl)sulfonyl]-1-piperazinyl}phenyl)-1,1,1,3,3,3-hexafluoro-2-propanol 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 C -6.4502 -0.5285 1.2465 C.ar 1 UNL1111111111 0.0747 2 C -7.1494 -1.7189 1.1581 C.ar 1 UNL1111111111 -0.3982 3 C -7.3137 -2.3002 -0.1270 C.ar 1 UNL1111111111 0.4479 4 N -7.9796 -3.4797 -0.3146 N.pl3 1 UNL1111111111 -0.5956 5 N -6.8162 -1.7191 -1.2667 N.ar 1 UNL1111111111 -0.5047 6 C -6.1504 -0.5660 -1.1464 C.ar 1 UNL1111111111 0.2142 7 C -5.9308 0.0648 0.0897 C.ar 1 UNL1111111111 -0.5819 8 S -5.0419 1.5524 0.1830 S.O2 1 UNL1111111111 2.3635 9 O -5.3026 2.3379 -1.0023 O.2 1 UNL1111111111 -0.9107 10 O -5.1867 2.0887 1.5179 O.2 1 UNL1111111111 -0.9183 11 N -3.3757 1.0173 0.0324 N.3 1 UNL1111111111 -0.7496 12 C -2.5786 0.9710 1.2700 C.3 1 UNL1111111111 -0.0734 13 C -1.3524 0.0468 1.0337 C.3 1 UNL1111111111 -0.0973 14 C -2.5836 1.6027 -1.0633 C.3 1 UNL1111111111 -0.0769 15 C -1.3706 0.6727 -1.3253 C.3 1 UNL1111111111 -0.0921 16 N -0.5617 0.5736 -0.0943 N.pl3 1 UNL1111111111 -0.4252 17 C 0.7928 0.2928 -0.1868 C.ar 1 UNL1111111111 0.2795 18 C 1.4857 -0.3880 0.8400 C.ar 1 UNL1111111111 -0.3166 19 C 2.8598 -0.5590 0.7749 C.ar 1 UNL1111111111 -0.0046 20 C 1.5453 0.7906 -1.2794 C.ar 1 UNL1111111111 -0.3058 21 C 2.9150 0.6132 -1.3276 C.ar 1 UNL1111111111 -0.0176 22 C 3.5899 -0.0804 -0.3146 C.ar 1 UNL1111111111 -0.2373 23 C 5.0678 -0.2326 -0.4261 C.3 1 UNL1111111111 0.1879 24 C 5.8047 0.9519 0.2771 C.3 1 UNL1111111111 0.5111 25 F 7.1264 0.8453 0.2267 F 1 UNL1111111111 -0.1758 26 F 5.5151 2.1234 -0.2727 F 1 UNL1111111111 -0.1731 27 F 5.4998 1.0668 1.5650 F 1 UNL1111111111 -0.1865 28 C 5.6226 -1.5970 0.0993 C.3 1 UNL1111111111 0.4793 29 F 6.8003 -1.8988 -0.4339 F 1 UNL1111111111 -0.1703 30 F 5.8091 -1.6536 1.4136 F 1 UNL1111111111 -0.1886 31 F 4.8358 -2.6266 -0.1984 F 1 UNL1111111111 -0.1941 32 O 5.5413 -0.1265 -1.7395 O.3 1 UNL1111111111 -0.4890 33 H -6.3147 -0.0525 2.2286 H 1 UNL1111111111 0.1768 34 H -7.5636 -2.1957 2.0362 H 1 UNL1111111111 0.1720 35 H -8.3933 -3.9713 0.4458 H 1 UNL1111111111 0.3116 36 H -8.0867 -3.8585 -1.2368 H 1 UNL1111111111 0.3234 37 H -5.7895 -0.1394 -2.1000 H 1 UNL1111111111 0.1860 38 H -2.2296 1.9808 1.5888 H 1 UNL1111111111 0.1448 39 H -3.1850 0.5606 2.1082 H 1 UNL1111111111 0.1505 40 H -0.7405 0.0349 1.9617 H 1 UNL1111111111 0.1445 41 H -1.6923 -0.9935 0.8331 H 1 UNL1111111111 0.1405 42 H -3.1971 1.6769 -1.9912 H 1 UNL1111111111 0.1629 43 H -2.2248 2.6311 -0.8289 H 1 UNL1111111111 0.1406 44 H -1.7274 -0.3355 -1.6378 H 1 UNL1111111111 0.1426 45 H -0.7715 1.0855 -2.1633 H 1 UNL1111111111 0.1419 46 H 0.9506 -0.7912 1.6945 H 1 UNL1111111111 0.1616 47 H 3.3524 -1.0742 1.6023 H 1 UNL1111111111 0.1615 48 H 1.0540 1.3494 -2.0715 H 1 UNL1111111111 0.1620 49 H 3.4760 1.0406 -2.1651 H 1 UNL1111111111 0.1620 50 H 4.9740 -0.6432 -2.3662 H 1 UNL1111111111 0.3401 @BOND 1 1 7 ar 2 1 33 1 3 2 1 ar 4 2 3 ar 5 2 34 1 6 3 5 ar 7 4 3 1 8 4 35 1 9 4 36 1 10 5 6 ar 11 6 37 1 12 7 8 1 13 7 6 ar 14 8 10 2 15 9 8 2 16 11 14 1 17 11 8 1 18 12 11 1 19 12 38 1 20 12 39 1 21 13 16 1 22 13 12 1 23 13 40 1 24 13 41 1 25 14 42 1 26 14 43 1 27 15 14 1 28 15 44 1 29 15 45 1 30 16 15 1 31 17 20 ar 32 17 16 1 33 18 17 ar 34 18 46 1 35 19 22 ar 36 19 18 ar 37 19 47 1 38 20 48 1 39 21 20 ar 40 21 49 1 41 22 21 ar 42 23 32 1 43 23 22 1 44 24 23 1 45 24 26 1 46 25 24 1 47 27 24 1 48 28 29 1 49 28 23 1 50 30 28 1 51 31 28 1 52 32 50 1