@MOLECULE diphenylamine 24 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 0.0030 1.1376 0.0486 N.pl3 1 UNL1 -0.5398 2 C 1.2430 0.4842 -0.0105 C.ar 1 UNL1 0.2462 3 C -1.2411 0.4892 0.0441 C.ar 1 UNL1 0.2434 4 C 2.3720 1.1810 0.4623 C.ar 1 UNL1 -0.2687 5 C -2.3470 1.1798 -0.4866 C.ar 1 UNL1 -0.2694 6 C 1.3892 -0.8004 -0.5578 C.ar 1 UNL1 -0.2649 7 C -1.4130 -0.7856 0.6083 C.ar 1 UNL1 -0.2587 8 C 3.6224 0.5789 0.4020 C.ar 1 UNL1 -0.0772 9 C -3.6006 0.5802 -0.4687 C.ar 1 UNL1 -0.0781 10 C 2.6497 -1.3855 -0.6027 C.ar 1 UNL1 -0.0756 11 C -2.6752 -1.3675 0.6117 C.ar 1 UNL1 -0.0779 12 C 3.7672 -0.7052 -0.1223 C.ar 1 UNL1 -0.2216 13 C -3.7699 -0.6936 0.0722 C.ar 1 UNL1 -0.2196 14 H 0.0051 2.1478 0.0095 H 1 UNL1 0.3165 15 H 2.2651 2.1773 0.8802 H 1 UNL1 0.1581 16 H -2.2217 2.1690 -0.9157 H 1 UNL1 0.1574 17 H 0.5295 -1.3265 -0.9663 H 1 UNL1 0.1699 18 H -0.5705 -1.3034 1.0613 H 1 UNL1 0.1701 19 H 4.4967 1.1145 0.7710 H 1 UNL1 0.1460 20 H -4.4572 1.1105 -0.8837 H 1 UNL1 0.1462 21 H 2.7633 -2.3834 -1.0258 H 1 UNL1 0.1475 22 H -2.8090 -2.3571 1.0482 H 1 UNL1 0.1477 23 H 4.7475 -1.1706 -0.1608 H 1 UNL1 0.1513 24 H -4.7521 -1.1568 0.0780 H 1 UNL1 0.1513 @BOND 1 21 10 1 2 17 6 1 3 16 5 1 4 20 9 1 5 10 6 ar 6 10 12 ar 7 6 2 ar 8 5 9 ar 9 5 3 ar 10 9 13 ar 11 23 12 1 12 12 8 ar 13 2 1 1 14 2 4 ar 15 14 1 1 16 3 1 1 17 3 7 ar 18 13 24 1 19 13 11 ar 20 8 4 ar 21 8 19 1 22 4 15 1 23 7 11 ar 24 7 18 1 25 11 22 1