@MOLECULE 5-amino-3-pentenoic acid 17 16 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.0557 -0.0721 0.0163 C.2 1 UNL1111111111 0.6528 2 O -2.3408 -1.2300 -0.1297 O.2 1 UNL1111111111 -0.5024 3 C -0.9032 0.5375 0.7542 C.3 1 UNL1111111111 -0.3426 4 C 0.3296 -0.2659 0.4987 C.2 1 UNL1111111111 -0.1835 5 C 1.4560 0.2784 0.0335 C.2 1 UNL1111111111 -0.1393 6 C 2.6832 -0.5373 -0.2478 C.3 1 UNL1111111111 -0.1124 7 N 3.8730 0.3471 -0.2500 N.3 1 UNL1111111111 -0.6433 8 O -2.8355 0.9076 -0.5159 O.3 1 UNL1111111111 -0.5691 9 H -0.7765 1.6078 0.4704 H 1 UNL1111111111 0.1880 10 H -1.1353 0.5528 1.8461 H 1 UNL1111111111 0.1871 11 H 0.2331 -1.3310 0.7140 H 1 UNL1111111111 0.1653 12 H 1.5529 1.3408 -0.1968 H 1 UNL1111111111 0.1675 13 H 2.7777 -1.3866 0.4654 H 1 UNL1111111111 0.1203 14 H 2.5927 -0.9867 -1.2690 H 1 UNL1111111111 0.1595 15 H 4.0120 0.7897 0.6432 H 1 UNL1111111111 0.2478 16 H 4.7092 -0.1530 -0.5008 H 1 UNL1111111111 0.2491 17 H -3.6136 0.5683 -1.0215 H 1 UNL1111111111 0.3553 @BOND 1 1 2 2 2 1 3 1 3 1 8 1 4 3 4 1 5 3 9 1 6 3 10 1 7 4 5 2 8 4 11 1 9 5 6 1 10 5 12 1 11 6 7 1 12 6 13 1 13 6 14 1 14 7 15 1 15 7 16 1 16 8 17 1