@MOLECULE 1,3-bis(4-{(1e)-1-[(diaminomethylidene)hydrazinylidene]ethyl}phenyl)urea 54 55 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.0072 0.7524 -0.1431 O.2 1 UNL11111111 -0.5072 2 N 1.1584 -1.2183 0.1450 N.am 1 UNL11111111 -0.5923 3 N -1.1699 -1.2364 -0.0933 N.am 1 UNL11111111 -0.5965 4 N 7.3809 0.0913 0.0089 N.2 1 UNL11111111 -0.2830 5 N -7.3779 0.0984 -0.0049 N.2 1 UNL11111111 -0.2841 6 N 8.6689 0.5535 0.1160 N.pl3 1 UNL11111111 -0.4585 7 N -8.6649 0.5629 -0.1058 N.pl3 1 UNL11111111 -0.4576 8 N 9.4456 -1.4775 -1.0105 N.pl3 1 UNL11111111 -0.6396 9 N 10.8833 0.3600 -0.5831 N.pl3 1 UNL11111111 -0.6201 10 N -10.8863 0.3399 0.5638 N.pl3 1 UNL11111111 -0.6201 11 N -9.4479 -1.5086 0.9403 N.pl3 1 UNL11111111 -0.6398 12 C 2.4555 -0.6598 0.2451 C.ar 1 UNL11111111 0.2437 13 C -2.4615 -0.6687 -0.2196 C.ar 1 UNL11111111 0.2414 14 C 5.0717 0.2821 0.4530 C.ar 1 UNL11111111 -0.0802 15 C -5.0668 0.2997 -0.4259 C.ar 1 UNL11111111 -0.0786 16 C 3.4692 -1.5034 0.7353 C.ar 1 UNL11111111 -0.2653 17 C -3.4801 -1.4991 -0.7199 C.ar 1 UNL11111111 -0.2634 18 C 2.7579 0.6484 -0.1545 C.ar 1 UNL11111111 -0.2191 19 C -2.7501 0.6417 0.1828 C.ar 1 UNL11111111 -0.2130 20 C 4.7709 -1.0284 0.8315 C.ar 1 UNL11111111 -0.0718 21 C -4.7775 -1.0106 -0.8136 C.ar 1 UNL11111111 -0.0727 22 C 4.0636 1.1117 -0.0430 C.ar 1 UNL11111111 -0.0891 23 C -4.0507 1.1185 0.0735 C.ar 1 UNL11111111 -0.0909 24 C -0.0034 -0.4529 -0.0394 C.2 1 UNL11111111 0.7238 25 C 6.4507 0.7977 0.5788 C.2 1 UNL11111111 0.2038 26 C -6.4431 0.8243 -0.5426 C.2 1 UNL11111111 0.2043 27 C 6.6243 2.0720 1.3405 C.3 1 UNL11111111 -0.4703 28 C -6.6112 2.1250 -1.2593 C.3 1 UNL11111111 -0.4703 29 C 9.5892 -0.1873 -0.4828 C.cat 1 UNL11111111 0.5339 30 C -9.5893 -0.2007 0.4569 C.cat 1 UNL11111111 0.5335 31 H 3.2449 -2.5210 1.0412 H 1 UNL11111111 0.1554 32 H -3.2643 -2.5160 -1.0332 H 1 UNL11111111 0.1555 33 H 1.9853 1.3110 -0.5507 H 1 UNL11111111 0.1985 34 H -1.9686 1.2921 0.5809 H 1 UNL11111111 0.1941 35 H 5.5654 -1.6780 1.2028 H 1 UNL11111111 0.1620 36 H -5.5775 -1.6503 -1.1898 H 1 UNL11111111 0.1623 37 H 4.3025 2.1297 -0.3531 H 1 UNL11111111 0.1596 38 H -4.2800 2.1374 0.3882 H 1 UNL11111111 0.1596 39 H 1.0815 -2.2089 0.3420 H 1 UNL11111111 0.3122 40 H -1.1001 -2.2335 -0.2572 H 1 UNL11111111 0.3118 41 H 6.7778 2.9174 0.6522 H 1 UNL11111111 0.1710 42 H 7.5248 2.0300 1.9760 H 1 UNL11111111 0.1775 43 H 5.7680 2.3023 1.9854 H 1 UNL11111111 0.1612 44 H -6.7705 2.9453 -0.5428 H 1 UNL11111111 0.1708 45 H -7.5071 2.1056 -1.9028 H 1 UNL11111111 0.1776 46 H -5.7506 2.3782 -1.8894 H 1 UNL11111111 0.1616 47 H 10.0322 -1.7437 -1.7792 H 1 UNL11111111 0.2932 48 H 8.4895 -1.8004 -1.0940 H 1 UNL11111111 0.3172 49 H 11.0091 1.2467 -0.1130 H 1 UNL11111111 0.3037 50 H 11.6509 -0.2726 -0.4347 H 1 UNL11111111 0.2901 51 H -11.0099 1.2416 0.1223 H 1 UNL11111111 0.3037 52 H -11.6500 -0.2896 0.3868 H 1 UNL11111111 0.2900 53 H -8.4921 -1.8326 1.0213 H 1 UNL11111111 0.3171 54 H -10.0409 -1.8021 1.6941 H 1 UNL11111111 0.2931 @BOND 1 45 28 1 2 46 28 1 3 47 8 1 4 28 26 1 5 28 44 1 6 36 21 1 7 48 8 1 8 32 17 1 9 8 29 1 10 21 17 ar 11 21 15 ar 12 17 13 ar 13 9 29 1 14 9 50 1 15 9 49 1 16 33 18 1 17 26 15 1 18 26 5 2 19 29 6 2 20 15 23 ar 21 37 22 1 22 40 3 1 23 13 3 1 24 13 19 ar 25 18 22 ar 26 18 12 ar 27 1 24 2 28 7 5 1 29 7 30 2 30 3 24 am 31 22 14 ar 32 24 2 am 33 4 6 1 34 4 25 2 35 23 19 ar 36 23 38 1 37 51 10 1 38 2 12 1 39 2 39 1 40 19 34 1 41 12 16 ar 42 52 10 1 43 14 25 1 44 14 20 ar 45 30 10 1 46 30 11 1 47 25 27 1 48 41 27 1 49 16 20 ar 50 16 31 1 51 20 35 1 52 11 53 1 53 11 54 1 54 27 42 1 55 27 43 1