@MOLECULE d-ornithine 21 20 0 0 0 SMALL USER_CHARGES @ATOM 1 OXT -2.1348 -1.2754 0.8201 O.3 1 UNL111111111111 -0.5595 2 O -1.7349 -0.7521 -1.3152 O.2 1 UNL111111111111 -0.5020 3 N -1.1844 1.9238 -0.4990 N.3 1 UNL111111111111 -0.6363 4 N 3.6018 -0.4641 -0.6126 N.3 1 UNL111111111111 -0.6461 5 C 0.2959 0.5042 1.0075 C.3 1 UNL111111111111 -0.3204 6 C 1.2667 0.0783 -0.0934 C.3 1 UNL111111111111 -0.2870 7 CA -1.1211 0.8170 0.4748 C.3 1 UNL111111111111 -0.0089 8 C 2.6720 -0.1453 0.4949 C.3 1 UNL111111111111 -0.1002 9 C -1.6844 -0.4447 -0.1525 C.2 1 UNL111111111111 0.6175 10 H 0.2204 -0.2907 1.7786 H 1 UNL111111111111 0.1610 11 H 0.6864 1.3949 1.5382 H 1 UNL111111111111 0.1542 12 H 1.3278 0.8439 -0.8933 H 1 UNL111111111111 0.1598 13 H 0.9110 -0.8409 -0.5978 H 1 UNL111111111111 0.1502 14 HA -1.7774 1.1232 1.3413 H 1 UNL111111111111 0.1833 15 H 2.6428 -0.9321 1.2778 H 1 UNL111111111111 0.1091 16 H 3.0344 0.7878 0.9817 H 1 UNL111111111111 0.1397 17 H1 -1.1929 1.5938 -1.4549 H 1 UNL111111111111 0.2702 18 H2 -0.4187 2.5660 -0.3827 H 1 UNL111111111111 0.2597 19 H 3.3303 -1.3016 -1.1015 H 1 UNL111111111111 0.2493 20 H 4.5480 -0.5679 -0.2894 H 1 UNL111111111111 0.2489 21 HXT -2.5085 -2.1235 0.4770 H 1 UNL111111111111 0.3577 @BOND 1 17 3 1 2 2 9 2 3 19 4 1 4 12 6 1 5 4 20 1 6 4 8 1 7 13 6 1 8 3 18 1 9 3 7 1 10 9 7 1 11 9 1 1 12 6 8 1 13 6 5 1 14 21 1 1 15 8 16 1 16 8 15 1 17 7 5 1 18 7 14 1 19 5 11 1 20 5 10 1