@MOLECULE 3,5-diphenyl-s-triazole 28 30 0 0 0 SMALL GASTEIGER @ATOM 1 N 1.1115 0.3530 0.0354 N.ar 1 UNL1111 -0.1579 2 N 0.6619 1.6495 0.0995 N.ar 1 UNL1111 -0.0320 3 N -0.6213 1.6471 0.0947 N.ar 1 UNL1111 -0.1886 4 C -1.1069 0.3287 0.0208 C.ar 1 UNL1111 -0.0004 5 C 2.4914 0.0222 0.0185 C.ar 1 UNL1111 0.1565 6 C -2.5170 0.0110 -0.0079 C.ar 1 UNL1111 0.0037 7 C 0.0174 -0.5075 -0.0165 C.ar 1 UNL1111 -0.1171 8 C 2.8963 -1.2693 0.3798 C.ar 1 UNL1111 -0.1984 9 C 3.4297 0.9924 -0.3576 C.ar 1 UNL1111 -0.1637 10 C -2.9367 -1.2954 -0.2864 C.ar 1 UNL1111 -0.1515 11 C -3.4695 1.0071 0.2401 C.ar 1 UNL1111 -0.1211 12 C 4.2513 -1.5860 0.3463 C.ar 1 UNL1111 -0.1134 13 C 4.7796 0.6569 -0.3794 C.ar 1 UNL1111 -0.1153 14 C -4.2950 -1.5994 -0.3126 C.ar 1 UNL1111 -0.1448 15 C -4.8258 0.6963 0.2130 C.ar 1 UNL1111 -0.1473 16 C 5.1916 -0.6293 -0.0331 C.ar 1 UNL1111 -0.1551 17 C -5.2404 -0.6060 -0.0624 C.ar 1 UNL1111 -0.1407 18 H 0.0985 -1.5717 -0.0807 H 1 UNL1111 0.1914 19 H 2.1709 -2.0168 0.6935 H 1 UNL1111 0.1658 20 H 3.1022 2.0001 -0.6256 H 1 UNL1111 0.1880 21 H -2.2052 -2.0743 -0.4874 H 1 UNL1111 0.1490 22 H -3.1411 2.0274 0.4517 H 1 UNL1111 0.1753 23 H 4.5768 -2.5887 0.6228 H 1 UNL1111 0.1564 24 H 5.5163 1.4062 -0.6704 H 1 UNL1111 0.1592 25 H -4.6184 -2.6151 -0.5307 H 1 UNL1111 0.1488 26 H -5.5635 1.4730 0.4063 H 1 UNL1111 0.1520 27 H 6.2491 -0.8864 -0.0564 H 1 UNL1111 0.1547 28 H -6.3010 -0.8466 -0.0831 H 1 UNL1111 0.1464 @BOND 1 1 2 ar 2 1 5 1 3 1 7 ar 4 2 3 ar 5 3 4 ar 6 4 6 1 7 4 7 ar 8 5 8 ar 9 5 9 ar 10 6 10 ar 11 6 11 ar 12 7 18 1 13 8 12 ar 14 8 19 1 15 9 13 ar 16 9 20 1 17 10 14 ar 18 10 21 1 19 11 15 ar 20 11 22 1 21 12 16 ar 22 12 23 1 23 13 16 ar 24 13 24 1 25 14 17 ar 26 14 25 1 27 15 17 ar 28 15 26 1 29 16 27 1 30 17 28 1