@MOLECULE (2r)-2-amino-3-(imidazol-1-id-4-yl)propanoate 18 17 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.2063 -1.2341 -0.0664 O.2 1 UNL1 -0.3265 2 O -2.9820 1.0833 -0.2442 O.2 1 UNL1 -0.3117 3 N 0.2422 2.2862 0.6199 N.2 1 UNL1 -0.5465 4 N 0.3802 -0.4627 0.1508 N.ar 1 UNL1 -0.3426 5 N 1.6133 -2.3400 0.1854 N.ar 1 UNL1 -0.3683 6 C 2.0435 1.2650 -0.6429 C.3 1 UNL1 -0.2928 7 C 1.4399 2.3850 0.1761 C.2 1 UNL1 0.1238 8 C 1.6715 -0.1073 -0.2356 C.ar 1 UNL1 0.0057 9 C -3.1235 -0.0734 -0.1708 C.1 1 UNL1 0.6385 10 C 2.4217 -1.2910 -0.2188 C.ar 1 UNL1 -0.1019 11 C 0.3900 -1.8309 0.4169 C.ar 1 UNL1 0.0612 12 H 1.7393 1.4172 -1.7118 H 1 UNL1 0.1827 13 H 3.1547 1.3601 -0.6403 H 1 UNL1 0.1721 14 H 2.1076 3.2509 0.3070 H 1 UNL1 0.1281 15 H -0.1807 3.0293 1.1508 H 1 UNL1 0.2723 16 H -0.3498 0.2073 0.3117 H 1 UNL1 0.3396 17 H 3.4506 -1.4488 -0.4679 H 1 UNL1 0.1761 18 H -0.4749 -2.3837 0.7391 H 1 UNL1 0.1901 @BOND 1 12 6 1 2 6 13 1 3 6 8 1 4 6 7 1 5 17 10 1 6 2 9 2 7 8 10 ar 8 8 4 ar 9 10 5 ar 10 9 1 2 11 4 16 1 12 4 11 ar 13 7 14 1 14 7 3 2 15 5 11 ar 16 11 18 1 17 3 15 1