@MOLECULE allylamine 11 10 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.9136 -0.0433 -0.1015 C.2 1 UNL11111111 -0.3227 2 H 2.7808 0.5989 -0.0880 H 1 UNL11111111 0.1478 3 H 2.1643 -1.0731 -0.3042 H 1 UNL11111111 0.1468 4 C 0.6731 0.3918 0.1124 C.2 1 UNL11111111 -0.1683 5 H 0.4570 1.4397 0.3126 H 1 UNL11111111 0.1424 6 C -0.5185 -0.5243 0.1129 C.3 1 UNL11111111 -0.1192 7 H -0.5734 -1.0671 1.0883 H 1 UNL11111111 0.1566 8 H -0.4169 -1.3175 -0.6652 H 1 UNL11111111 0.1554 9 N -1.8130 0.1497 -0.1030 N.3 1 UNL11111111 -0.6328 10 H -2.0088 0.8296 0.6133 H 1 UNL11111111 0.2461 11 H -1.8538 0.6044 -1.0005 H 1 UNL11111111 0.2480 @BOND 1 11 9 1 2 8 6 1 3 3 1 1 4 9 6 1 5 9 10 1 6 1 2 1 7 1 4 2 8 4 6 1 9 4 5 1 10 6 7 1