@MOLECULE n-(2-ethoxyphenyl)-n'-(1,2,3-trimethylpropyl)-2-nitroethene-1,1-diamine 23 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.2520 -2.6940 -2.4407 C.1 1 UNL1 0.3594 2 C -1.3253 -1.6786 -1.6842 C.1 1 UNL1 -0.7195 3 O -1.2429 -0.6317 -0.9536 O.3 1 UNL1 0.4625 4 C -2.3263 -0.1945 -0.3713 C.ar 1 UNL1 -0.1033 5 C -3.6490 -0.6414 -0.3476 C.ar 1 UNL1 -0.0590 6 C -4.6467 -0.1743 0.2502 C.ar 1 UNL1 0.0308 7 C -4.4787 0.9493 1.0253 C.ar 1 UNL1 0.0738 8 C -3.3427 1.4659 1.1006 C.ar 1 UNL1 -0.1061 9 C -2.0888 1.1065 0.5280 C.ar 1 UNL1 0.3353 10 N -1.0003 1.7489 0.7121 N.pl3 1 UNL1 -0.3653 11 C 0.2959 1.4737 0.2682 C.2 1 UNL1 0.4060 12 C 1.0662 2.5136 -0.1618 C.3 1 UNL1 -0.3087 13 N 2.4461 2.3860 -0.5115 N.pl3 1 UNL1 0.6753 14 O 2.9736 3.3100 -1.1057 O.2 1 UNL1 -0.3821 15 O 3.0496 1.3634 -0.1967 O.2 1 UNL1 -0.4745 16 N 0.6356 0.1149 0.2104 N.2 1 UNL1 -0.4267 17 C 1.6513 -0.4290 0.7277 C.3 1 UNL1 0.0651 18 C 2.3125 -1.7208 0.6891 C.3 1 UNL1 -0.5758 19 C 1.9570 -3.1371 0.6551 C.2 1 UNL1 -0.7887 20 C 1.3226 -4.1516 1.1758 C.2 1 UNL1 0.5613 21 C 2.7664 -2.6460 -0.4280 C.3 1 UNL1 0.6019 22 C 2.8875 -0.6774 1.5621 C.3 1 UNL1 0.5090 23 H 0.6556 3.5258 -0.2724 H 1 UNL1 0.2291 @BOND 1 1 2 3 2 2 3 1 3 14 13 2 4 3 4 1 5 13 15 2 6 13 12 1 7 21 19 1 8 21 18 1 9 4 5 ar 10 4 9 ar 11 5 6 ar 12 23 12 1 13 12 11 1 14 16 11 2 15 16 17 1 16 6 7 ar 17 11 10 1 18 9 10 1 19 9 8 ar 20 19 18 1 21 19 20 2 22 18 17 1 23 18 22 1 24 17 22 1 25 7 8 ar