@MOLECULE triphenylamine.xyz 34 36 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.7104 0.4500 -0.7919 C.ar 1 LIG1 -0.0400 2 C -5.3761 -0.0649 -0.1208 C.ar 1 LIG1 0.0388 3 C -5.4947 -1.3012 -0.7910 C.ar 1 LIG1 -0.0400 4 C -6.7032 -1.9903 -0.7917 C.ar 1 LIG1 -0.0600 5 C -7.8114 -1.4707 -0.1201 C.ar 1 LIG1 -0.0616 6 C -7.7068 -0.2510 0.5511 C.ar 1 LIG1 -0.0600 7 C -6.5056 0.4509 0.5498 C.ar 1 LIG1 -0.0400 8 N -4.1080 0.6670 -0.1210 N.pl3 1 LIG1 -0.2692 9 C -2.8401 -0.0652 -0.1211 C.ar 1 LIG1 0.0388 10 C -2.7218 -1.3012 0.5498 C.ar 1 LIG1 -0.0400 11 C -1.5134 -1.9906 0.5508 C.ar 1 LIG1 -0.0600 12 C -0.4050 -1.4715 -0.1210 C.ar 1 LIG1 -0.0616 13 C -0.5094 -0.2520 -0.7928 C.ar 1 LIG1 -0.0600 14 C -4.1078 2.1311 -0.1214 C.ar 1 LIG1 0.0388 15 C -5.1192 2.8517 -0.7920 C.ar 1 LIG1 -0.0400 16 C -5.1116 4.2428 -0.7932 C.ar 1 LIG1 -0.0600 17 C -4.1075 4.9431 -0.1219 C.ar 1 LIG1 -0.0616 18 C -3.1035 4.2429 0.5496 C.ar 1 LIG1 -0.0600 19 C -3.0963 2.8517 0.5490 C.ar 1 LIG1 -0.0400 20 H -6.7858 -2.9447 -1.3221 H 1 LIG1 0.0618 21 H -8.7594 -2.0179 -0.1199 H 1 LIG1 0.0618 22 H -8.5744 0.1550 1.0818 H 1 LIG1 0.0618 23 H -6.4353 1.4091 1.0800 H 1 LIG1 0.0636 24 H -4.6299 -1.7197 -1.3214 H 1 LIG1 0.0636 25 H -1.7805 1.4081 -1.3224 H 1 LIG1 0.0636 26 H -3.5866 -1.7193 1.0803 H 1 LIG1 0.0636 27 H -1.4310 -2.9447 1.0817 H 1 LIG1 0.0618 28 H 0.5429 -2.0189 -0.1209 H 1 LIG1 0.0618 29 H 0.3583 0.1534 -1.3236 H 1 LIG1 0.0618 30 H -5.9140 2.3119 -1.3221 H 1 LIG1 0.0636 31 H -5.8968 4.7914 -1.3239 H 1 LIG1 0.0618 32 H -4.1074 6.0377 -0.1221 H 1 LIG1 0.0618 33 H -2.3182 4.7915 1.0801 H 1 LIG1 0.0618 34 H -2.3016 2.3119 1.0793 H 1 LIG1 0.0636 @BOND 1 31 16 1 2 29 13 1 3 25 1 1 4 20 4 1 5 30 15 1 6 24 3 1 7 16 15 ar 8 16 17 ar 9 13 1 ar 10 13 12 ar 11 15 14 ar 12 1 9 ar 13 4 3 ar 14 4 5 ar 15 3 2 ar 16 32 17 1 17 17 18 ar 18 14 8 1 19 14 19 ar 20 9 8 1 21 9 10 ar 22 8 2 1 23 12 28 1 24 12 11 ar 25 2 7 ar 26 5 21 1 27 5 6 ar 28 19 18 ar 29 19 34 1 30 18 33 1 31 10 11 ar 32 10 26 1 33 7 6 ar 34 7 23 1 35 11 27 1 36 6 22 1