@MOLECULE 2,6-difluoro-4-{4-[4-(4-methyl-1-piperazinyl)phenyl]-3-pyridinyl}phenol 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.4448 -1.5433 -0.1168 C.ar 1 UNL111111111 0.0594 2 N 4.8275 -2.8277 -0.0252 N.ar 1 UNL111111111 -0.3776 3 C 3.8796 -3.7724 0.1295 C.ar 1 UNL111111111 0.0585 4 C 2.5160 -3.4683 0.1918 C.ar 1 UNL111111111 -0.2582 5 C 2.1168 -2.1327 0.0978 C.ar 1 UNL111111111 0.0855 6 C 3.0988 -1.1422 -0.0571 C.ar 1 UNL111111111 -0.1278 7 C 2.7517 0.2766 -0.1526 C.ar 1 UNL111111111 0.0142 8 C 0.6948 -1.7835 0.1559 C.ar 1 UNL111111111 -0.1151 9 C 3.3093 1.1869 0.7537 C.ar 1 UNL111111111 -0.1999 10 C 2.9400 2.5239 0.6815 C.ar 1 UNL111111111 0.1349 11 C 2.0203 2.9859 -0.2747 C.ar 1 UNL111111111 0.1420 12 C 1.4911 2.0524 -1.1722 C.ar 1 UNL111111111 0.0813 13 C 1.8490 0.7093 -1.1283 C.ar 1 UNL111111111 -0.1702 14 F 3.4496 3.3994 1.5282 F 1 UNL111111111 -0.1326 15 C 0.2197 -0.9321 1.1607 C.ar 1 UNL111111111 -0.0781 16 C -1.1108 -0.5493 1.1831 C.ar 1 UNL111111111 -0.2298 17 C -2.0003 -1.0175 0.1931 C.ar 1 UNL111111111 0.2209 18 C -1.5237 -1.8915 -0.7979 C.ar 1 UNL111111111 -0.2654 19 C -0.1867 -2.2737 -0.8069 C.ar 1 UNL111111111 -0.0859 20 O 1.7323 4.3049 -0.2329 O.3 1 UNL111111111 -0.4165 21 F 0.6213 2.4648 -2.0803 F 1 UNL111111111 -0.1546 22 N -3.3621 -0.6533 0.3139 N.pl3 1 UNL111111111 -0.4294 23 C -3.6133 0.8081 0.2929 C.3 1 UNL111111111 -0.0950 24 C -5.0496 1.0753 0.8010 C.3 1 UNL111111111 -0.1286 25 N -6.0035 0.3797 -0.0974 N.3 1 UNL111111111 -0.3977 26 C -5.7545 -1.0815 -0.0464 C.3 1 UNL111111111 -0.1265 27 C -4.3208 -1.3597 -0.5623 C.3 1 UNL111111111 -0.1065 28 C -7.3989 0.6843 0.2837 C.3 1 UNL111111111 -0.2838 29 H 5.2520 -0.8116 -0.2482 H 1 UNL111111111 0.1771 30 H 4.2442 -4.8032 0.2044 H 1 UNL111111111 0.1702 31 H 1.7778 -4.2556 0.3199 H 1 UNL111111111 0.1738 32 H 4.0152 0.8451 1.5120 H 1 UNL111111111 0.1843 33 H 1.4195 -0.0050 -1.8346 H 1 UNL111111111 0.1887 34 H 0.9050 -0.5672 1.9272 H 1 UNL111111111 0.1588 35 H -1.4776 0.0968 1.9783 H 1 UNL111111111 0.1665 36 H -2.1833 -2.2648 -1.5756 H 1 UNL111111111 0.1598 37 H 0.1772 -2.9469 -1.5836 H 1 UNL111111111 0.1530 38 H 1.0778 4.5734 -0.9279 H 1 UNL111111111 0.3324 39 H -2.8840 1.3268 0.9495 H 1 UNL111111111 0.1440 40 H -3.4962 1.2240 -0.7336 H 1 UNL111111111 0.1400 41 H -5.1399 0.7552 1.8609 H 1 UNL111111111 0.1291 42 H -5.2556 2.1659 0.7594 H 1 UNL111111111 0.1402 43 H -5.8744 -1.5063 0.9733 H 1 UNL111111111 0.1294 44 H -6.4857 -1.5889 -0.7102 H 1 UNL111111111 0.1390 45 H -4.2387 -1.0380 -1.6242 H 1 UNL111111111 0.1376 46 H -4.1243 -2.4527 -0.5116 H 1 UNL111111111 0.1431 47 H -7.5640 1.7717 0.2012 H 1 UNL111111111 0.1474 48 H -8.0794 0.2002 -0.4369 H 1 UNL111111111 0.1473 49 H -7.6784 0.3642 1.2984 H 1 UNL111111111 0.1210 @BOND 1 1 6 ar 2 1 29 1 3 2 3 ar 4 2 1 ar 5 3 4 ar 6 3 30 1 7 4 5 ar 8 4 31 1 9 5 8 1 10 6 5 ar 11 6 7 1 12 7 9 ar 13 8 19 ar 14 9 10 ar 15 9 32 1 16 10 14 1 17 11 20 1 18 11 10 ar 19 12 11 ar 20 13 12 ar 21 13 7 ar 22 13 33 1 23 15 16 ar 24 15 8 ar 25 15 34 1 26 16 17 ar 27 16 35 1 28 17 22 1 29 17 18 ar 30 18 36 1 31 19 18 ar 32 19 37 1 33 20 38 1 34 21 12 1 35 22 27 1 36 23 24 1 37 23 22 1 38 23 39 1 39 23 40 1 40 24 25 1 41 24 41 1 42 24 42 1 43 25 28 1 44 25 26 1 45 26 43 1 46 26 44 1 47 27 26 1 48 27 45 1 49 27 46 1 50 28 47 1 51 28 48 1 52 28 49 1