@MOLECULE mptp 28 29 0 0 0 SMALL GASTEIGER @ATOM 1 N -3.0409 -0.2247 0.2294 N.3 1 UNL1111111111 -0.3987 2 C -2.3519 -0.7328 -0.9806 C.3 1 UNL1111111111 -0.1067 3 C -0.9112 -1.1188 -0.5920 C.3 1 UNL1111111111 -0.2798 4 C -0.2268 0.0326 0.0732 C.2 1 UNL1111111111 -0.0142 5 C -2.4182 1.0314 0.7246 C.3 1 UNL1111111111 -0.1125 6 C -0.9208 1.0054 0.6757 C.2 1 UNL1111111111 -0.1950 7 C 1.2409 0.0216 0.0395 C.ar 1 UNL1111111111 -0.0101 8 C -4.4787 -0.0088 -0.0395 C.3 1 UNL1111111111 -0.2850 9 C 1.9302 1.0054 -0.6739 C.ar 1 UNL1111111111 -0.1584 10 C 1.9499 -0.9741 0.7172 C.ar 1 UNL1111111111 -0.1556 11 C 3.3225 0.9903 -0.7123 C.ar 1 UNL1111111111 -0.1412 12 C 3.3414 -0.9828 0.6791 C.ar 1 UNL1111111111 -0.1418 13 C 4.0288 -0.0031 -0.0359 C.ar 1 UNL1111111111 -0.1573 14 H -2.3379 0.0011 -1.8133 H 1 UNL1111111111 0.1161 15 H -2.8957 -1.6322 -1.3410 H 1 UNL1111111111 0.1352 16 H -0.3557 -1.4585 -1.4861 H 1 UNL1111111111 0.1485 17 H -0.9355 -1.9816 0.1095 H 1 UNL1111111111 0.1665 18 H -2.7495 1.1398 1.7873 H 1 UNL1111111111 0.1523 19 H -2.7809 1.9335 0.1783 H 1 UNL1111111111 0.1229 20 H -0.4352 1.8405 1.1749 H 1 UNL1111111111 0.1521 21 H -4.6935 0.7107 -0.8431 H 1 UNL1111111111 0.1177 22 H -4.9689 0.3403 0.8845 H 1 UNL1111111111 0.1456 23 H -4.9404 -0.9754 -0.3021 H 1 UNL1111111111 0.1465 24 H 1.3759 1.7796 -1.1998 H 1 UNL1111111111 0.1543 25 H 1.4106 -1.7357 1.2770 H 1 UNL1111111111 0.1562 26 H 3.8581 1.7554 -1.2705 H 1 UNL1111111111 0.1475 27 H 3.8931 -1.7562 1.2095 H 1 UNL1111111111 0.1480 28 H 5.1156 -0.0127 -0.0651 H 1 UNL1111111111 0.1468 @BOND 1 1 2 1 2 1 5 1 3 1 8 1 4 2 3 1 5 2 14 1 6 2 15 1 7 3 4 1 8 3 16 1 9 3 17 1 10 4 6 2 11 4 7 1 12 5 6 1 13 5 18 1 14 5 19 1 15 6 20 1 16 7 9 ar 17 7 10 ar 18 8 21 1 19 8 22 1 20 8 23 1 21 9 11 ar 22 9 24 1 23 10 12 ar 24 10 25 1 25 11 13 ar 26 11 26 1 27 12 13 ar 28 12 27 1 29 13 28 1