@MOLECULE (2s)-2-amino-4-pentynoic acid 15 14 0 0 0 SMALL USER_CHARGES @ATOM 1 OXT 0.7993 -1.6081 0.7607 O.3 1 UNL11111111 -0.5449 2 O 1.6772 -0.6558 -1.0596 O.2 1 UNL11111111 -0.5028 3 N 1.2781 1.7474 0.5041 N.3 1 UNL11111111 -0.6399 4 CA 0.2795 0.6753 0.4487 C.3 1 UNL11111111 0.0066 5 C -0.9140 0.9615 -0.5048 C.3 1 UNL11111111 -0.2958 6 C 1.0106 -0.5579 -0.0649 C.2 1 UNL11111111 0.6309 7 C -2.0325 0.1221 -0.1978 C.1 1 UNL11111111 -0.0836 8 C -2.9817 -0.5810 0.0655 C.1 1 UNL11111111 -0.1901 9 HA -0.1005 0.4943 1.4936 H 1 UNL11111111 0.1880 10 H -1.2030 2.0364 -0.4222 H 1 UNL11111111 0.1711 11 H -0.5969 0.8316 -1.5691 H 1 UNL11111111 0.1826 12 H1 0.9078 2.6026 0.8823 H 1 UNL11111111 0.2638 13 H2 1.7200 1.9217 -0.3867 H 1 UNL11111111 0.2704 14 HXT 1.2562 -2.4385 0.4739 H 1 UNL11111111 0.3554 15 H -3.7860 -1.1817 0.2890 H 1 UNL11111111 0.1883 @BOND 1 11 5 1 2 2 6 2 3 5 10 1 4 5 7 1 5 5 4 1 6 13 3 1 7 7 8 3 8 6 4 1 9 6 1 1 10 8 15 1 11 4 3 1 12 4 9 1 13 14 1 1 14 3 12 1