@MOLECULE (6e)-3-(diethylamino)-6-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazono]-2,4-cyclohexadien-1-one 41 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 5.3296 1.3745 0.6669 C.3 1 UNL1 -0.0501 2 C 5.5478 -1.0562 0.2177 C.3 1 UNL1 -0.0476 3 C 6.0187 2.1817 -0.4399 C.3 1 UNL1 -0.4641 4 C 5.3825 -1.7530 1.5726 C.3 1 UNL1 -0.4768 5 C -6.4037 -1.2833 0.2653 C.3 1 UNL1 -0.4077 6 C -6.2710 1.8649 0.2496 C.3 1 UNL1 -0.4290 7 H -1.3150 1.8228 -0.0020 H 1 UNL1 0.3066 8 C -5.1928 -0.4514 0.2090 C.ar 1 UNL1 -0.2381 9 C -5.1302 0.9218 0.2021 C.ar 1 UNL1 0.1619 10 C -2.9251 0.5113 0.0798 C.ar 1 UNL1 0.2192 11 O 0.8119 -2.2257 -1.1226 O.2 1 UNL1 -0.4303 12 C 3.3790 0.0665 -0.1563 C.2 1 UNL1 0.3183 13 C 0.5290 0.0358 -0.4536 C.2 1 UNL1 -0.0950 14 C 1.3381 -1.2222 -0.7054 C.2 1 UNL1 0.5188 15 C 2.7480 -1.1255 -0.3914 C.2 1 UNL1 -0.5225 16 C 2.6070 1.3137 -0.2830 C.2 1 UNL1 -0.2048 17 C 1.2706 1.2881 -0.4223 C.2 1 UNL1 -0.1214 18 N -0.7438 -0.1655 -0.2708 N.2 1 UNL1 -0.0679 19 N -3.8441 1.4663 0.1232 N.ar 1 UNL1 -0.4700 20 N 4.7253 0.1567 0.1081 N.pl3 1 UNL1 -0.4296 21 N -1.5700 0.8364 0.0857 N.pl3 1 UNL1 -0.3186 22 S -3.5829 -1.1414 0.1204 S.2 1 UNL1 0.2585 23 H 6.0698 1.0968 1.4530 H 1 UNL1 0.1393 24 H 4.5670 1.9944 1.1890 H 1 UNL1 0.1409 25 H 6.6128 -0.7774 0.0502 H 1 UNL1 0.1372 26 H 5.2813 -1.7519 -0.6142 H 1 UNL1 0.1557 27 H 3.2629 -2.0799 -0.3694 H 1 UNL1 0.1888 28 H 3.1550 2.2547 -0.2947 H 1 UNL1 0.1662 29 H 5.3255 2.4213 -1.2560 H 1 UNL1 0.1600 30 H 6.4222 3.1225 -0.0516 H 1 UNL1 0.1494 31 H 6.8482 1.6201 -0.8880 H 1 UNL1 0.1543 32 H 5.9592 -2.6837 1.6103 H 1 UNL1 0.1537 33 H 5.7158 -1.1199 2.4013 H 1 UNL1 0.1467 34 H 4.3304 -2.0093 1.7642 H 1 UNL1 0.1705 35 H 0.7038 2.2142 -0.5315 H 1 UNL1 0.1539 36 H -6.2053 -2.3527 0.4325 H 1 UNL1 0.1585 37 H -7.0764 -0.9622 1.0792 H 1 UNL1 0.1574 38 H -6.9824 -1.2127 -0.6723 H 1 UNL1 0.1603 39 H -7.0929 1.4872 0.8729 H 1 UNL1 0.1560 40 H -5.9678 2.8463 0.6534 H 1 UNL1 0.1755 41 H -6.6712 2.0499 -0.7605 H 1 UNL1 0.1659 @BOND 1 29 3 1 2 11 14 2 3 31 3 1 4 41 6 1 5 14 13 1 6 14 15 1 7 38 5 1 8 26 2 1 9 35 17 1 10 13 17 1 11 13 18 2 12 3 30 1 13 3 1 1 14 17 16 2 15 15 27 1 16 15 12 2 17 28 16 1 18 16 12 1 19 18 21 1 20 12 20 1 21 7 21 1 22 25 2 1 23 10 21 1 24 10 22 ar 25 10 19 ar 26 20 2 1 27 20 1 1 28 22 8 ar 29 19 9 ar 30 9 8 ar 31 9 6 1 32 8 5 1 33 2 4 1 34 6 40 1 35 6 39 1 36 5 36 1 37 5 37 1 38 1 24 1 39 1 23 1 40 4 32 1 41 4 34 1 42 4 33 1