@MOLECULE 4-amino-4-methyl-2-pentynal 17 16 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.4226 -0.4828 0.0146 O.2 1 UNL1111111111 -0.4065 2 N 2.0046 1.2034 -0.5582 N.3 1 UNL1111111111 -0.6593 3 C 1.4030 -0.0302 0.0046 C.3 1 UNL1111111111 0.2732 4 C 1.7697 -1.2141 -0.9112 C.3 1 UNL1111111111 -0.4574 5 C 1.8702 -0.3116 1.4518 C.3 1 UNL1111111111 -0.5028 6 C -0.0394 0.1431 0.0062 C.1 1 UNL1111111111 0.0193 7 C -1.2422 0.2912 -0.0000 C.1 1 UNL1111111111 -0.2452 8 C -2.6579 0.4540 -0.0238 C.2 1 UNL1111111111 0.3774 9 H 2.8423 -1.4287 -0.8853 H 1 UNL1111111111 0.1515 10 H 1.5022 -0.9921 -1.9549 H 1 UNL1111111111 0.1716 11 H 1.2351 -2.1247 -0.6183 H 1 UNL1111111111 0.1601 12 H 1.6104 0.5085 2.1288 H 1 UNL1111111111 0.1547 13 H 1.4014 -1.2208 1.8478 H 1 UNL1111111111 0.1671 14 H 2.9538 -0.4557 1.4986 H 1 UNL1111111111 0.1555 15 H 2.9946 1.1095 -0.7065 H 1 UNL1111111111 0.2593 16 H 1.8230 2.0139 0.0089 H 1 UNL1111111111 0.2572 17 H -3.0397 1.4877 -0.0820 H 1 UNL1111111111 0.1243 @BOND 1 1 8 2 2 2 3 1 3 2 15 1 4 2 16 1 5 3 4 1 6 3 5 1 7 3 6 1 8 4 9 1 9 4 10 1 10 4 11 1 11 5 12 1 12 5 13 1 13 5 14 1 14 6 7 3 15 7 8 1 16 8 17 1