@MOLECULE 2-[(2R)-4-[(4-hydroxyphenyl)methyl]-2-[2-(4H-imidazol-3-ium-4-ylium-5-yl)ethyl]-5-oxo-2H-imidazol-1-yl]acetic acid 43 45 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.8119 0.7421 1.1918 C.3 1 UNL111111111 0.2086 2 N -0.5838 0.7179 0.7023 N.2 1 UNL111111111 -0.3541 3 C -0.8460 1.7820 0.0186 C.2 1 UNL111111111 0.1186 4 C 0.3476 2.7348 -0.0186 C.2 1 UNL111111111 0.5142 5 O 0.4685 3.8141 -0.5309 O.2 1 UNL111111111 -0.4611 6 N 1.2993 2.1030 0.7908 N.am 1 UNL111111111 -0.5585 7 C 2.6790 2.5136 0.8516 C.3 1 UNL111111111 -0.1123 8 C 3.4989 2.0144 -0.3219 C.2 1 UNL111111111 0.6023 9 O 3.1852 1.2971 -1.2283 O.2 1 UNL111111111 -0.4703 10 C 1.6049 -0.4117 0.5641 C.3 1 UNL111111111 -0.2992 11 C -2.1115 2.1078 -0.6811 C.3 1 UNL111111111 -0.2736 12 C -3.1306 1.0249 -0.4851 C.ar 1 UNL111111111 -0.0542 13 C -3.0938 -0.1156 -1.2894 C.ar 1 UNL111111111 -0.0649 14 C -4.0702 1.1320 0.5453 C.ar 1 UNL111111111 -0.0875 15 C -3.9868 -1.1618 -1.0710 C.ar 1 UNL111111111 -0.3038 16 C -4.9700 0.1011 0.7833 C.ar 1 UNL111111111 -0.2470 17 C -4.9033 -1.0379 -0.0262 C.ar 1 UNL111111111 0.2861 18 O -5.7986 -2.0153 0.2802 O.3 1 UNL111111111 -0.4803 19 C 0.9689 -1.7595 0.9328 C.3 1 UNL111111111 -0.2482 20 C 1.7792 -2.8654 0.3778 C.ar 1 UNL111111111 0.0839 21 N 1.9193 -3.0610 -0.9928 N.ar 1 UNL111111111 -0.3817 22 C 2.5083 -3.8463 1.0581 C.ar 1 UNL111111111 -0.1736 23 N 3.1016 -4.6426 0.0760 N.ar 1 UNL111111111 -0.3570 24 C 2.7161 -4.1256 -1.1629 C.ar 1 UNL111111111 0.0811 25 O 4.7612 2.5073 -0.2134 O.3 1 UNL111111111 -0.5684 26 H 5.3596 2.2384 -0.9532 H 1 UNL111111111 0.3623 27 H -5.6964 -2.8087 -0.2982 H 1 UNL111111111 0.3262 28 H -5.7023 0.1549 1.5822 H 1 UNL111111111 0.1708 29 H -4.0900 2.0199 1.1753 H 1 UNL111111111 0.1514 30 H -2.3522 -0.1995 -2.0845 H 1 UNL111111111 0.1601 31 H -3.9556 -2.0522 -1.6878 H 1 UNL111111111 0.1602 32 H -2.4951 3.0948 -0.3321 H 1 UNL111111111 0.1783 33 H -1.9034 2.2676 -1.7675 H 1 UNL111111111 0.1842 34 H 0.8040 0.6829 2.3130 H 1 UNL111111111 0.1648 35 H 2.7260 3.6401 0.8666 H 1 UNL111111111 0.2030 36 H 3.1487 2.1694 1.8075 H 1 UNL111111111 0.1818 37 H 1.6330 -0.3154 -0.5482 H 1 UNL111111111 0.2005 38 H 2.6598 -0.3780 0.8889 H 1 UNL111111111 0.1496 39 H 0.8535 -1.8594 2.0302 H 1 UNL111111111 0.1474 40 H -0.0706 -1.8033 0.5204 H 1 UNL111111111 0.1900 41 H 2.6338 -4.0242 2.1017 H 1 UNL111111111 0.1739 42 H 3.6845 -5.4276 0.2459 H 1 UNL111111111 0.3103 43 H 3.0332 -4.5336 -2.1066 H 1 UNL111111111 0.1863 @BOND 1 1 2 1 2 1 34 1 3 1 6 1 4 1 10 1 5 2 3 2 6 3 11 1 7 3 4 1 8 4 6 am 9 4 5 2 10 6 7 1 11 7 35 1 12 7 36 1 13 7 8 1 14 8 9 2 15 8 25 1 16 10 37 1 17 10 38 1 18 10 19 1 19 11 12 1 20 11 32 1 21 11 33 1 22 12 14 ar 23 12 13 ar 24 13 30 1 25 13 15 ar 26 14 16 ar 27 14 29 1 28 15 17 ar 29 15 31 1 30 16 17 ar 31 16 28 1 32 17 18 1 33 18 27 1 34 19 39 1 35 19 40 1 36 19 20 1 37 20 22 ar 38 20 21 ar 39 21 24 ar 40 22 41 1 41 22 23 ar 42 23 42 1 43 23 24 ar 44 24 43 1 45 25 26 1