@MOLECULE 4-[[3-[[5-(2-fluoroethoxy)-3H-pyridin-1-ium-3-id-2-yl]oxy]phenyl]methylene]-N-pyridazin-3-yl-piperidine-1-carboxamide 57 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F -2.2394 -5.7986 -0.2677 F 1 UNL1 -0.2017 2 O -2.7966 3.3758 -0.8300 O.2 1 UNL1 -0.5370 3 O 4.4214 -1.3841 -0.1187 O.3 1 UNL1 -0.3062 4 O -0.4038 -3.8048 -0.6390 O.3 1 UNL1 -0.3091 5 N -0.9575 2.1881 -1.5483 N.am 1 UNL1 -0.4616 6 N -2.7252 1.1385 -0.3426 N.am 1 UNL1 -0.5571 7 N -4.2512 -0.2148 0.7374 N.ar 1 UNL1 -0.2556 8 N -5.3642 -0.4699 1.3297 N.ar 1 UNL1 -0.0954 9 N 2.1738 -1.4761 0.5215 N.ar 1 UNL1 -0.4197 10 C 0.7603 1.7674 0.1907 C.3 1 UNL1 -0.3421 11 C 0.5397 4.0634 -0.7683 C.3 1 UNL1 -0.3322 12 C -0.3150 3.4714 -1.9127 C.3 1 UNL1 -0.0661 13 C 0.0348 1.2143 -1.0492 C.3 1 UNL1 -0.0653 14 C 1.4688 3.0223 -0.2182 C.2 1 UNL1 0.0584 15 C 2.7934 3.2100 -0.1335 C.2 1 UNL1 -0.2456 16 C -2.1859 2.3287 -0.8738 C.2 1 UNL1 0.6995 17 C 3.7108 2.1862 0.3675 C.ar 1 UNL1 0.0595 18 C 3.6961 0.9133 -0.2065 C.ar 1 UNL1 -0.2376 19 C 4.5623 2.4514 1.4460 C.ar 1 UNL1 -0.2000 20 C 4.4442 -0.0920 0.3966 C.ar 1 UNL1 0.2408 21 C -3.9804 1.0512 0.2538 C.ar 1 UNL1 0.2938 22 C 5.3550 1.4376 1.9825 C.ar 1 UNL1 -0.0981 23 C 5.2900 0.1391 1.4779 C.ar 1 UNL1 -0.2184 24 C -4.9182 2.0953 0.3945 C.ar 1 UNL1 -0.2290 25 C 3.1899 -1.9660 -0.2061 C.ar 1 UNL1 0.3377 26 C -6.1107 1.7947 1.0348 C.ar 1 UNL1 -0.1052 27 C 3.1013 -3.0932 -1.0501 C.ar 1 UNL1 -0.2292 28 C -6.3088 0.4840 1.4977 C.ar 1 UNL1 -0.1272 29 C 1.8687 -3.7143 -1.1442 C.ar 1 UNL1 -0.1268 30 C 0.7891 -3.1988 -0.4017 C.ar 1 UNL1 0.1023 31 C 0.9764 -2.0895 0.4315 C.ar 1 UNL1 -0.0410 32 C -1.3708 -3.7233 0.4147 C.3 1 UNL1 -0.0860 33 C -2.5674 -4.4848 -0.1635 C.3 1 UNL1 -0.0710 34 H 0.0440 1.9799 1.0106 H 1 UNL1 0.1653 35 H 1.0824 4.9534 -1.1394 H 1 UNL1 0.1542 36 H -0.1255 4.4399 0.0385 H 1 UNL1 0.1696 37 H 1.4419 0.9979 0.6164 H 1 UNL1 0.1936 38 H 0.7642 1.0306 -1.8752 H 1 UNL1 0.1604 39 H -0.4284 0.2293 -0.8423 H 1 UNL1 0.1357 40 H -1.0962 4.2022 -2.2259 H 1 UNL1 0.1671 41 H 0.3198 3.2727 -2.8060 H 1 UNL1 0.1508 42 H 3.2622 4.1467 -0.4342 H 1 UNL1 0.1627 43 H -2.2119 0.2591 -0.4389 H 1 UNL1 0.3365 44 H 3.0836 0.6986 -1.0778 H 1 UNL1 0.1703 45 H 4.5882 3.4487 1.8783 H 1 UNL1 0.1573 46 H 6.0159 1.6547 2.8208 H 1 UNL1 0.1516 47 H 5.8636 -0.6720 1.9164 H 1 UNL1 0.1724 48 H -4.7132 3.0993 0.0107 H 1 UNL1 0.2182 49 H -6.8800 2.5544 1.1707 H 1 UNL1 0.1736 50 H 3.9740 -3.4421 -1.5958 H 1 UNL1 0.1870 51 H -7.2202 0.1723 2.0113 H 1 UNL1 0.1868 52 H 1.7156 -4.5881 -1.7785 H 1 UNL1 0.1807 53 H 0.1813 -1.6673 1.0532 H 1 UNL1 0.1835 54 H -1.6368 -2.6700 0.6158 H 1 UNL1 0.1438 55 H -0.9565 -4.1923 1.3249 H 1 UNL1 0.1444 56 H -3.4612 -4.3799 0.4990 H 1 UNL1 0.1536 57 H -2.8343 -4.0977 -1.1774 H 1 UNL1 0.1531 @BOND 1 41 12 1 2 40 12 1 3 12 5 1 4 12 11 1 5 38 13 1 6 52 29 1 7 50 27 1 8 5 13 1 9 5 16 am 10 57 33 1 11 29 27 ar 12 29 30 ar 13 35 11 1 14 44 18 1 15 27 25 ar 16 13 39 1 17 13 10 1 18 16 2 2 19 16 6 am 20 11 14 1 21 11 36 1 22 4 30 1 23 4 32 1 24 43 6 1 25 42 15 1 26 30 31 ar 27 6 21 1 28 1 33 1 29 14 15 2 30 14 10 1 31 18 17 ar 32 18 20 ar 33 25 3 1 34 25 9 ar 35 33 32 1 36 33 56 1 37 15 17 1 38 3 20 1 39 48 24 1 40 10 37 1 41 10 34 1 42 21 24 ar 43 21 7 ar 44 17 19 ar 45 24 26 ar 46 20 23 ar 47 32 54 1 48 32 55 1 49 31 9 ar 50 31 53 1 51 7 8 ar 52 26 49 1 53 26 28 ar 54 8 28 ar 55 19 45 1 56 19 22 ar 57 23 47 1 58 23 22 ar 59 28 51 1 60 22 46 1