@MOLECULE n-(2-ethoxyphenyl)-n'-(1,2,3-trimethylpropyl)-2-nitroethene-1,1-diamine 22 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.2842 0.9312 0.1061 C.2 1 UNL1 0.4597 2 C -1.1653 2.0082 0.3719 C.3 1 UNL1 -0.2953 3 N 0.7121 0.7325 0.9099 N.pl3 1 UNL1 -0.3755 4 N -0.4947 0.2395 -1.1041 N.2 1 UNL1 -0.4099 5 C 3.6020 -1.3119 -0.2876 C.ar 1 UNL1 0.0452 6 C 3.7206 -2.2764 0.6661 C.ar 1 UNL1 0.0030 7 C 2.8036 -2.1783 1.6210 C.ar 1 UNL1 -0.0020 8 C 1.8585 -1.2731 1.6846 C.ar 1 UNL1 -0.0354 9 C 1.6629 -0.2663 0.7540 C.ar 1 UNL1 0.1457 10 C 2.6354 -0.3276 -0.3013 C.ar 1 UNL1 -0.0743 11 O 2.6146 0.5093 -1.4338 O.3 1 UNL1 0.1297 12 C 2.5162 1.7545 -1.2010 C.1 1 UNL1 -0.4448 13 C 2.4403 3.0289 -1.1143 C.1 1 UNL1 0.2914 14 C -1.4078 -0.7264 -1.2632 C.3 1 UNL1 -0.2715 15 C -2.3514 -1.3051 -0.2992 C.2 1 UNL1 0.0081 16 C -3.3150 -2.1602 -0.7042 C.1 1 UNL1 -0.6552 17 C -1.4960 -1.2827 -2.5319 C.3 1 UNL1 0.6215 18 C -2.2843 -1.0180 1.0367 C.1 1 UNL1 0.4034 19 C -4.2438 -2.9618 -1.0606 C.1 1 UNL1 0.3120 20 N -1.7881 2.9622 0.5953 N.4 1 UNL1 0.4493 21 O -2.4765 3.8936 0.8090 O.3 1 UNL1 -0.2201 22 O -2.2849 -0.8165 2.1678 O.2 1 UNL1 -0.0849 @BOND 1 17 14 1 2 11 12 1 3 11 10 1 4 14 4 1 5 14 15 1 6 12 13 3 7 4 1 2 8 19 16 3 9 16 15 1 10 10 5 ar 11 10 9 ar 12 15 18 2 13 5 6 ar 14 1 2 1 15 1 3 1 16 2 20 1 17 20 21 1 18 6 7 ar 19 9 3 1 20 9 8 ar 21 18 22 2 22 7 8 ar