@MOLECULE n''-(di-2-pyridinylmethylene)-n'''-[(e)-(6-oxo-2,4-cyclohexadien-1-ylidene)methyl]thiocarbonohydrazide 43 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 5.1091 0.5992 -0.3499 C.ar 1 UNL1 -0.2049 2 C 2.8585 -2.4250 -0.8984 C.ar 1 UNL1 -0.2105 3 C 6.0196 1.6252 -0.5997 C.ar 1 UNL1 -0.0697 4 C 3.2985 -3.7431 -0.7827 C.ar 1 UNL1 -0.0742 5 C 5.5661 2.9376 -0.6968 C.ar 1 UNL1 -0.2232 6 C 4.0344 -4.1214 0.3373 C.ar 1 UNL1 -0.2311 7 C 4.1950 3.1823 -0.5355 C.ar 1 UNL1 0.0735 8 C 4.3129 -3.1567 1.3166 C.ar 1 UNL1 0.0617 9 H -2.7726 0.4945 1.5866 H 1 UNL1 0.3105 10 H 1.3105 2.0733 0.0568 H 1 UNL1 0.3751 11 H -0.6585 -0.9254 0.6206 H 1 UNL1 0.3508 12 C 3.7520 0.9211 -0.1990 C.ar 1 UNL1 0.1578 13 C 3.1844 -1.5287 0.1275 C.ar 1 UNL1 0.1665 14 O -5.1413 -1.2153 -2.1313 O.2 1 UNL1 -0.5027 15 C 2.7265 -0.1093 0.0614 C.2 1 UNL1 0.0692 16 C -0.5852 1.1667 0.3789 C.2 1 UNL1 0.4438 17 C -4.7877 -0.2838 -0.0053 C.2 1 UNL1 -0.3022 18 C -5.6375 -0.7569 -1.1200 C.2 1 UNL1 0.4938 19 C -3.4394 -0.3813 -0.1843 C.2 1 UNL1 0.1667 20 C -5.4416 0.2370 1.1699 C.2 1 UNL1 -0.0665 21 C -7.0935 -0.6649 -0.9492 C.2 1 UNL1 -0.2911 22 C -6.7891 0.2926 1.2661 C.2 1 UNL1 -0.2168 23 C -7.6285 -0.1721 0.1841 C.2 1 UNL1 -0.0555 24 N 0.7918 1.1878 0.2247 N.am 1 UNL1 -0.3402 25 N -1.1973 -0.0756 0.4013 N.am 1 UNL1 -0.3669 26 N 1.4431 0.0020 0.2423 N.2 1 UNL1 -0.1763 27 N -2.5252 -0.1940 0.8583 N.pl3 1 UNL1 -0.2970 28 N 3.3140 2.2002 -0.2943 N.ar 1 UNL1 -0.4139 29 N 3.8988 -1.8817 1.2156 N.ar 1 UNL1 -0.3630 30 S -1.4156 2.6170 0.4394 S.2 1 UNL1 -0.4564 31 H 5.4539 -0.4294 -0.2599 H 1 UNL1 0.1791 32 H 2.2722 -2.0981 -1.7548 H 1 UNL1 0.1804 33 H -4.8151 0.5981 1.9854 H 1 UNL1 0.1393 34 H -3.0220 -0.7374 -1.1483 H 1 UNL1 0.2045 35 H 7.0798 1.3963 -0.7171 H 1 UNL1 0.1634 36 H 3.0637 -4.4691 -1.5615 H 1 UNL1 0.1607 37 H -7.6897 -1.0184 -1.7865 H 1 UNL1 0.1734 38 H -7.2823 0.6902 2.1493 H 1 UNL1 0.1546 39 H -8.7081 -0.1021 0.3230 H 1 UNL1 0.1469 40 H 6.2531 3.7567 -0.8917 H 1 UNL1 0.1703 41 H 4.3859 -5.1420 0.4571 H 1 UNL1 0.1653 42 H 3.7746 4.1948 -0.5992 H 1 UNL1 0.1795 43 H 4.8844 -3.3977 2.2213 H 1 UNL1 0.1753 @BOND 1 14 18 2 2 37 21 1 3 32 2 1 4 36 4 1 5 34 19 1 6 18 21 1 7 18 17 1 8 21 23 2 9 2 4 ar 10 2 13 ar 11 40 5 1 12 4 6 ar 13 35 3 1 14 5 3 ar 15 5 7 ar 16 3 1 ar 17 42 7 1 18 7 28 ar 19 1 31 1 20 1 12 ar 21 28 12 ar 22 12 15 1 23 19 17 2 24 19 27 1 25 17 20 1 26 10 24 1 27 15 13 1 28 15 26 2 29 13 29 ar 30 23 39 1 31 23 22 1 32 24 26 1 33 24 16 1 34 6 41 1 35 6 8 ar 36 16 25 1 37 16 30 2 38 25 11 1 39 25 27 1 40 27 9 1 41 20 22 2 42 20 33 1 43 29 8 ar 44 22 38 1 45 8 43 1