@MOLECULE 1-[(e)-amino(isobutoxyamino)methylene]-3-(2,6-dimethylphenyl)urea 42 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.6855 0.2514 -0.6511 O.3 1 UNL1 -0.1489 2 O 0.8237 2.0705 -0.0366 O.2 1 UNL1 -0.6204 3 N 0.8981 -0.2300 -0.0708 N.am 1 UNL1 -0.5388 4 N -3.3716 1.6027 -0.4600 N.4 1 UNL1 -0.3710 5 N -1.1197 0.8251 -0.3881 N.am 1 UNL1 -0.6851 6 N -1.6139 3.1768 -0.5010 N.pl3 1 UNL1 -0.6531 7 C -3.8082 -1.8969 0.2189 C.3 1 UNL1 -0.0782 8 C -3.7924 -0.4127 0.6244 C.3 1 UNL1 -0.0972 9 C -4.3640 -2.7278 1.3781 C.3 1 UNL1 -0.4536 10 C -2.3948 -2.3513 -0.1536 C.3 1 UNL1 -0.4495 11 C 2.3144 -0.3355 0.0266 C.ar 1 UNL1 0.1126 12 C 3.0035 -1.0385 -0.9807 C.ar 1 UNL1 0.0059 13 C 3.0036 0.2074 1.1240 C.ar 1 UNL1 0.0514 14 C 4.3849 -1.1895 -0.8788 C.ar 1 UNL1 -0.1914 15 C 4.3911 0.0514 1.1915 C.ar 1 UNL1 -0.1924 16 C 5.0758 -0.6417 0.1997 C.ar 1 UNL1 -0.1331 17 C 2.2745 -1.6144 -2.1470 C.3 1 UNL1 -0.4467 18 C 2.2967 0.9417 2.2078 C.3 1 UNL1 -0.4519 19 C 0.2606 0.9914 -0.1603 C.2 1 UNL1 0.7396 20 C -1.9542 1.8363 -0.4603 C.2 1 UNL1 0.5809 21 H -4.4737 -2.0174 -0.6719 H 1 UNL1 0.1387 22 H -4.7243 -0.0858 1.1094 H 1 UNL1 0.1245 23 H -2.9331 -0.1657 1.2696 H 1 UNL1 0.1541 24 H -3.7642 -2.6019 2.2869 H 1 UNL1 0.1488 25 H -4.3598 -3.7958 1.1312 H 1 UNL1 0.1475 26 H -5.3959 -2.4507 1.6176 H 1 UNL1 0.1410 27 H -2.3967 -3.3518 -0.5945 H 1 UNL1 0.1375 28 H -1.7331 -2.3669 0.7196 H 1 UNL1 0.1460 29 H -1.9501 -1.6561 -0.8833 H 1 UNL1 0.1698 30 H 4.9295 -1.7308 -1.6489 H 1 UNL1 0.1529 31 H 4.9381 0.4784 2.0295 H 1 UNL1 0.1553 32 H 6.1559 -0.7573 0.2645 H 1 UNL1 0.1476 33 H 0.3741 -1.0754 -0.2761 H 1 UNL1 0.3300 34 H 1.6711 -2.4861 -1.8552 H 1 UNL1 0.1557 35 H 1.5944 -0.8769 -2.6035 H 1 UNL1 0.1681 36 H 2.9547 -1.9476 -2.9428 H 1 UNL1 0.1563 37 H 2.8807 1.0019 3.1335 H 1 UNL1 0.1494 38 H 2.0786 1.9784 1.8850 H 1 UNL1 0.1891 39 H 1.3279 0.4844 2.4558 H 1 UNL1 0.1618 40 H -3.8687 2.0517 -1.2341 H 1 UNL1 0.2887 41 H -2.2851 3.8925 -0.3148 H 1 UNL1 0.3060 42 H -0.6356 3.4099 -0.3286 H 1 UNL1 0.3521 @BOND 1 36 17 1 2 35 17 1 3 17 34 1 4 17 12 1 5 30 14 1 6 40 4 1 7 12 14 ar 8 12 11 ar 9 29 10 1 10 14 16 ar 11 21 7 1 12 1 4 1 13 1 8 1 14 27 10 1 15 6 20 1 16 6 42 1 17 6 41 1 18 20 4 1 19 20 5 2 20 5 19 1 21 33 3 1 22 19 3 am 23 19 2 2 24 10 7 1 25 10 28 1 26 3 11 1 27 11 13 ar 28 16 32 1 29 16 15 ar 30 7 8 1 31 7 9 1 32 8 22 1 33 8 23 1 34 13 15 ar 35 13 18 1 36 25 9 1 37 15 31 1 38 9 26 1 39 9 24 1 40 38 18 1 41 18 39 1 42 18 37 1