@MOLECULE 1-methylhistamine 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 N -2.0127 -0.2248 0.0781 N.ar 1 UNL1111111111 -0.2296 2 N -0.4438 1.3679 -0.0442 N.ar 1 UNL1111111111 -0.3938 3 N 3.8385 -0.3315 0.3062 N.3 1 UNL1111111111 -0.6372 4 C 1.5649 0.0399 -0.7296 C.3 1 UNL1111111111 -0.3137 5 C 0.1332 0.1522 -0.3834 C.ar 1 UNL1111111111 0.0724 6 C 2.3944 -0.2007 0.5565 C.3 1 UNL1111111111 -0.0867 7 C -0.8368 -0.8559 -0.3157 C.ar 1 UNL1111111111 -0.1797 8 C -1.7393 1.1311 0.2293 C.ar 1 UNL1111111111 0.0650 9 C -3.2980 -0.8733 0.2357 C.3 1 UNL1111111111 -0.2484 10 H 1.7324 -0.7780 -1.4565 H 1 UNL1111111111 0.1477 11 H 1.9099 0.9727 -1.2282 H 1 UNL1111111111 0.1695 12 H 2.0440 -1.1207 1.0719 H 1 UNL1111111111 0.1416 13 H 2.2331 0.6404 1.2687 H 1 UNL1111111111 0.1565 14 H -0.7667 -1.9027 -0.5065 H 1 UNL1111111111 0.1763 15 H -2.4646 1.8660 0.5260 H 1 UNL1111111111 0.1856 16 H -3.8099 -0.9762 -0.7415 H 1 UNL1111111111 0.1599 17 H -3.1806 -1.8845 0.6689 H 1 UNL1111111111 0.1630 18 H -3.9547 -0.2924 0.9089 H 1 UNL1111111111 0.1605 19 H 4.2359 0.5163 -0.0628 H 1 UNL1111111111 0.2472 20 H 4.0475 -1.0890 -0.3217 H 1 UNL1111111111 0.2438 @BOND 1 1 7 ar 2 1 8 ar 3 1 9 1 4 2 5 ar 5 2 8 ar 6 3 6 1 7 3 19 1 8 3 20 1 9 4 5 1 10 4 6 1 11 4 10 1 12 4 11 1 13 5 7 ar 14 6 12 1 15 6 13 1 16 7 14 1 17 8 15 1 18 9 16 1 19 9 17 1 20 9 18 1