@MOLECULE histamine 17 17 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.1124 1.0928 0.0837 N.ar 1 UNL1111 -0.3723 2 N 3.4485 -0.0514 -0.2324 N.3 1 UNL1111 -0.6338 3 N -2.3881 -0.7274 -0.2433 N.ar 1 UNL1111 -0.3599 4 C 1.1117 0.0790 0.7255 C.3 1 UNL1111 -0.3287 5 C -0.3070 -0.0220 0.3403 C.ar 1 UNL1111 0.0055 6 C 2.0124 0.0002 -0.5356 C.3 1 UNL1111 -0.0874 7 C -1.1194 -1.1403 0.1330 C.ar 1 UNL1111 -0.0900 8 C -2.3775 0.6128 -0.2714 C.ar 1 UNL1111 0.0727 9 H 1.3226 1.0112 1.2859 H 1 UNL1111 0.1516 10 H 1.3731 -0.7457 1.4238 H 1 UNL1111 0.1660 11 H 1.8236 0.8752 -1.1949 H 1 UNL1111 0.1438 12 H 1.7473 -0.9013 -1.1336 H 1 UNL1111 0.1546 13 H -0.8219 2.0408 0.1437 H 1 UNL1111 0.3121 14 H -0.8833 -2.1814 0.2273 H 1 UNL1111 0.1809 15 H -3.2060 1.2493 -0.5253 H 1 UNL1111 0.1870 16 H 3.7006 -0.8726 0.2915 H 1 UNL1111 0.2503 17 H 3.7677 0.7646 0.2604 H 1 UNL1111 0.2475 @BOND 1 1 5 ar 2 1 8 ar 3 1 13 1 4 2 6 1 5 2 16 1 6 2 17 1 7 3 7 ar 8 3 8 ar 9 4 5 1 10 4 6 1 11 4 9 1 12 4 10 1 13 5 7 ar 14 6 11 1 15 6 12 1 16 7 14 1 17 8 15 1