@MOLECULE 1-(4-carbamoylphenyl)-3,3-dimethyltriazene-1-oxide 27 27 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.0705 1.7061 -0.1655 O.3 1 UNL1 -0.5070 2 O -4.5016 -1.2005 -0.5717 O.2 1 UNL1 -0.5006 3 N 1.6971 0.5215 -0.1286 N.4 1 UNL1 0.4193 4 N 3.8145 -0.3810 -0.2485 N.3 1 UNL1 -0.1985 5 N 2.4523 -0.5103 -0.0494 N.3 1 UNL1 -0.2757 6 N -4.6915 0.5809 0.7886 N.am 1 UNL1 -0.6890 7 C 0.2606 0.2788 -0.0881 C.ar 1 UNL1 0.0583 8 C -2.4787 -0.0677 -0.0151 C.ar 1 UNL1 -0.1011 9 C -0.5753 1.3564 -0.4033 C.ar 1 UNL1 -0.1193 10 C -0.2597 -0.9747 0.2472 C.ar 1 UNL1 -0.1325 11 C -1.9541 1.1761 -0.3651 C.ar 1 UNL1 -0.1289 12 C -1.6411 -1.1438 0.2766 C.ar 1 UNL1 -0.1007 13 C -3.9502 -0.2966 0.0197 C.2 1 UNL1 0.5787 14 C 4.5093 0.6145 0.6056 C.3 1 UNL1 -0.3107 15 C 4.3905 -1.7426 -0.0654 C.3 1 UNL1 -0.2664 16 H -0.1417 2.3261 -0.6735 H 1 UNL1 0.1964 17 H 0.4043 -1.8124 0.4761 H 1 UNL1 0.1883 18 H -2.6161 2.0043 -0.6206 H 1 UNL1 0.1662 19 H -2.0695 -2.1199 0.5183 H 1 UNL1 0.1764 20 H 4.3013 0.5127 1.6793 H 1 UNL1 0.1356 21 H 4.2069 1.6336 0.2888 H 1 UNL1 0.1876 22 H 5.5941 0.5303 0.4366 H 1 UNL1 0.1524 23 H 3.8140 -2.4753 -0.6585 H 1 UNL1 0.1634 24 H 4.4135 -2.0856 0.9787 H 1 UNL1 0.1332 25 H 5.4165 -1.7191 -0.4689 H 1 UNL1 0.1543 26 H -4.2805 1.3124 1.3227 H 1 UNL1 0.3060 27 H -5.6828 0.4624 0.8629 H 1 UNL1 0.3141 @BOND 1 16 9 1 2 23 15 1 3 18 11 1 4 2 13 2 5 25 15 1 6 9 11 ar 7 9 7 ar 8 11 8 ar 9 4 15 1 10 4 5 1 11 4 14 1 12 1 3 1 13 3 7 1 14 3 5 1 15 7 10 ar 16 15 24 1 17 8 13 1 18 8 12 ar 19 13 6 am 20 10 12 ar 21 10 17 1 22 12 19 1 23 21 14 1 24 22 14 1 25 14 20 1 26 6 27 1 27 6 26 1