@MOLECULE (2s)-5-amino-2-[(1-propyl-1h-imidazol-4-yl)methyl]pentanoic acid 38 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.4924 -0.1487 0.1209 C.3 1 UNL1 -0.1603 2 C -2.1168 -0.9968 0.1536 C.ar 1 UNL1 -0.1723 3 C -2.5202 1.0843 -0.5974 C.ar 1 UNL1 0.0741 4 C 0.2892 -0.5347 1.0023 C.3 1 UNL1 -0.2598 5 C 2.7646 -0.8747 0.5884 C.3 1 UNL1 -0.2753 6 C -4.4264 -0.5883 -0.7986 C.3 1 UNL1 -0.0897 7 C 3.9115 -0.6767 -0.4067 C.3 1 UNL1 -0.2856 8 C -5.3645 -0.3882 0.4082 C.3 1 UNL1 -0.2742 9 C 5.2268 -1.2150 0.1820 C.3 1 UNL1 -0.1036 10 C -6.7917 -0.7744 0.0372 C.3 1 UNL1 -0.4366 11 H 6.3684 -0.1946 -1.2216 H 1 UNL1 0.2478 12 H 7.1859 -1.4037 -0.4798 H 1 UNL1 0.2450 13 C -0.9997 -0.1804 0.3651 C.ar 1 UNL1 0.0604 14 O 1.8332 1.9961 1.2479 O.2 1 UNL1 -0.5183 15 O 1.8854 1.9003 -0.9785 O.3 1 UNL1 -0.5612 16 C 1.7245 1.3374 0.2480 C.2 1 UNL1 0.6611 17 H 1.9336 2.8860 -0.9534 H 1 UNL1 0.3511 18 N 6.2913 -1.1246 -0.8445 N.3 1 UNL1 -0.6502 19 N -1.2699 1.0972 -0.1062 N.ar 1 UNL1 -0.3886 20 N -3.0687 -0.1894 -0.4640 N.ar 1 UNL1 -0.2587 21 H 0.3194 -1.6214 1.2256 H 1 UNL1 0.1538 22 H 0.3695 -0.0209 1.9920 H 1 UNL1 0.1828 23 H -2.2820 -2.0256 0.3805 H 1 UNL1 0.1738 24 H 1.2725 -0.4094 -0.9462 H 1 UNL1 0.1827 25 H -3.0317 1.9190 -1.0411 H 1 UNL1 0.1868 26 H 3.0563 -0.5090 1.5941 H 1 UNL1 0.1540 27 H 2.5562 -1.9556 0.7070 H 1 UNL1 0.1459 28 H -4.4334 -1.6551 -1.1217 H 1 UNL1 0.1544 29 H -4.7834 0.0086 -1.6699 H 1 UNL1 0.1539 30 H 3.6940 -1.1944 -1.3628 H 1 UNL1 0.1603 31 H 4.0195 0.3929 -0.6722 H 1 UNL1 0.1506 32 H -5.0105 -0.9913 1.2672 H 1 UNL1 0.1512 33 H -5.3246 0.6646 0.7511 H 1 UNL1 0.1528 34 H 5.4814 -0.6691 1.1154 H 1 UNL1 0.1087 35 H 5.1147 -2.2888 0.4514 H 1 UNL1 0.1379 36 H -7.1830 -0.1567 -0.7797 H 1 UNL1 0.1472 37 H -6.8636 -1.8232 -0.2738 H 1 UNL1 0.1462 38 H -7.4688 -0.6448 0.8915 H 1 UNL1 0.1520 @BOND 1 29 6 1 2 30 7 1 3 11 18 1 4 28 6 1 5 25 3 1 6 15 17 1 7 15 16 1 8 24 1 1 9 18 12 1 10 18 9 1 11 6 20 1 12 6 8 1 13 36 10 1 14 31 7 1 15 3 20 ar 16 3 19 ar 17 20 2 ar 18 7 9 1 19 7 5 1 20 37 10 1 21 19 13 ar 22 10 8 1 23 10 38 1 24 1 16 1 25 1 5 1 26 1 4 1 27 2 13 ar 28 2 23 1 29 9 35 1 30 9 34 1 31 16 14 2 32 13 4 1 33 8 33 1 34 8 32 1 35 5 27 1 36 5 26 1 37 4 21 1 38 4 22 1