@MOLECULE methyl n~5~-(n-nitrocarbamimidoyl)-l-ornithinate 31 30 0 0 0 SMALL USER_CHARGES @ATOM 1 O 2.0355 -1.7661 0.2380 O.3 1 UNL111 -0.1072 2 O 3.0041 -0.5419 -1.3870 O.2 1 UNL111 -0.4230 3 O -3.3581 -1.8869 1.1602 O.2 1 UNL111 -0.0732 4 O -1.8028 -1.4911 -0.3144 O.2 1 UNL111 -0.1485 5 N 3.9046 1.3171 0.5527 N.3 1 UNL111 -0.9314 6 N -1.4865 1.4567 0.4582 N.pl3 1 UNL111 -0.4653 7 N -3.3411 0.0665 0.1266 N.pl3 1 UNL111 -0.5076 8 N -2.7696 1.5733 -1.6158 N.pl3 1 UNL111 -1.0523 9 N -2.7640 -1.1921 0.3605 N.pl3 1 UNL111 0.1297 10 C 1.4993 1.0737 1.1160 C.3 1 UNL111 -0.4171 11 C 0.8837 1.6616 -0.1595 C.3 1 UNL111 -0.1859 12 C 2.8413 0.3565 0.8775 C.3 1 UNL111 0.0252 13 C -0.4323 2.4068 0.1567 C.3 1 UNL111 -0.3941 14 C 2.6543 -0.6690 -0.2413 C.2 1 UNL111 0.2975 15 C -2.4084 1.0872 -0.3546 C.cat 1 UNL111 0.6965 16 C 1.7446 -2.8004 -0.6991 C.3 1 UNL111 -0.5791 17 H 1.6585 1.8762 1.8659 H 1 UNL111 0.2186 18 H 0.7802 0.3622 1.5776 H 1 UNL111 0.2256 19 H 1.5902 2.3616 -0.6438 H 1 UNL111 0.1383 20 H 0.6933 0.8594 -0.8985 H 1 UNL111 0.1699 21 H 3.1419 -0.1753 1.8232 H 1 UNL111 0.2203 22 H -0.6836 3.1163 -0.6598 H 1 UNL111 0.1717 23 H -0.3037 3.0258 1.0783 H 1 UNL111 0.2615 24 H 4.7956 0.8648 0.4127 H 1 UNL111 0.3880 25 H 3.6889 1.8567 -0.2731 H 1 UNL111 0.3792 26 H 1.2709 -2.3956 -1.5999 H 1 UNL111 0.2362 27 H 1.0454 -3.4414 -0.1460 H 1 UNL111 0.2490 28 H 2.6692 -3.3272 -0.9527 H 1 UNL111 0.2109 29 H -3.9585 0.3759 0.8971 H 1 UNL111 0.3821 30 H -2.0244 1.8646 -2.2274 H 1 UNL111 0.4477 31 H -3.5369 1.1303 -2.0925 H 1 UNL111 0.4367 @BOND 1 31 8 1 2 30 8 1 3 26 16 1 4 8 15 1 5 2 14 2 6 28 16 1 7 20 11 1 8 16 27 1 9 16 1 1 10 22 13 1 11 19 11 1 12 15 7 1 13 15 6 2 14 14 1 1 15 14 12 1 16 25 5 1 17 11 13 1 18 11 10 1 19 7 29 1 20 7 9 1 21 4 9 2 22 13 6 1 23 13 23 1 24 9 3 2 25 24 5 1 26 5 12 1 27 12 10 1 28 12 21 1 29 10 18 1 30 10 17 1