@MOLECULE (2s)-8-benzyl-2-hydroxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3(2h)-one 54 58 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.1506 -1.0747 1.7117 O.3 1 UNL1 -0.5159 2 O 0.0903 -3.2700 1.3778 O.2 1 UNL1 -0.3622 3 O 7.5891 0.3110 -0.5722 O.3 1 UNL1 -0.4762 4 O -8.4026 -0.6752 -0.0528 O.3 1 UNL1 -0.4762 5 N -0.6878 -1.3870 0.2681 N.ar 1 UNL1 -0.4706 6 N 1.2459 -0.3180 -0.3206 N.2 1 UNL1 -0.5330 7 N -2.2575 0.5960 -0.8789 N.ar 1 UNL1 -0.3135 8 C 1.6674 -1.4963 0.4759 C.3 1 UNL1 0.3714 9 C 2.6702 -2.3815 -0.2656 C.3 1 UNL1 -0.3067 10 C -0.0554 -0.2713 -0.3651 C.ar 1 UNL1 0.3219 11 C 0.3244 -2.2415 0.8311 C.2 1 UNL1 0.5089 12 C -0.9669 0.7249 -0.9544 C.ar 1 UNL1 0.1656 13 C -2.0655 -1.4815 0.3557 C.ar 1 UNL1 0.0223 14 C 3.9959 -1.6871 -0.3357 C.ar 1 UNL1 -0.0710 15 C -0.3583 1.9285 -1.6067 C.3 1 UNL1 -0.2798 16 C -2.8282 -0.5009 -0.2303 C.ar 1 UNL1 0.0355 17 C 0.1721 2.8378 -0.5346 C.ar 1 UNL1 -0.0051 18 C -4.2916 -0.5268 -0.1912 C.ar 1 UNL1 -0.0797 19 C 4.1733 -0.6153 -1.2212 C.ar 1 UNL1 -0.0669 20 C 5.0434 -2.0929 0.4908 C.ar 1 UNL1 -0.0803 21 C 5.3880 0.0514 -1.2856 C.ar 1 UNL1 -0.2552 22 C 6.2747 -1.4420 0.4412 C.ar 1 UNL1 -0.3201 23 C -0.6991 3.6967 0.1375 C.ar 1 UNL1 -0.1592 24 C 1.5244 2.8026 -0.1925 C.ar 1 UNL1 -0.1415 25 C -4.9979 0.6528 0.0695 C.ar 1 UNL1 -0.0274 26 C -4.9806 -1.7256 -0.4198 C.ar 1 UNL1 -0.0780 27 C 6.4255 -0.3798 -0.4504 C.ar 1 UNL1 0.2893 28 C -0.2146 4.5211 1.1500 C.ar 1 UNL1 -0.1498 29 C 2.0055 3.6301 0.8196 C.ar 1 UNL1 -0.1455 30 C -6.3879 0.6415 0.1268 C.ar 1 UNL1 -0.3202 31 C -6.3670 -1.7591 -0.3696 C.ar 1 UNL1 -0.2481 32 C -7.0495 -0.5687 -0.0919 C.ar 1 UNL1 0.3026 33 C 1.1371 4.4896 1.4906 C.ar 1 UNL1 -0.1508 34 H 2.3001 -2.6213 -1.2849 H 1 UNL1 0.1704 35 H 2.7531 -3.3569 0.2632 H 1 UNL1 0.1751 36 H -2.4709 -2.3424 0.8966 H 1 UNL1 0.1983 37 H -1.1112 2.4570 -2.2365 H 1 UNL1 0.1819 38 H 0.4495 1.6170 -2.3075 H 1 UNL1 0.1780 39 H 2.8240 -0.3551 1.5878 H 1 UNL1 0.3558 40 H 3.3395 -0.2925 -1.8509 H 1 UNL1 0.1738 41 H 4.9020 -2.9207 1.1868 H 1 UNL1 0.1574 42 H 5.5469 0.8883 -1.9601 H 1 UNL1 0.1755 43 H 7.0908 -1.7564 1.0810 H 1 UNL1 0.1599 44 H -1.7563 3.7129 -0.1234 H 1 UNL1 0.1579 45 H 2.1984 2.1108 -0.7011 H 1 UNL1 0.1706 46 H -4.4504 1.5861 0.2247 H 1 UNL1 0.1690 47 H -4.4277 -2.6373 -0.6481 H 1 UNL1 0.1547 48 H -0.8940 5.1862 1.6784 H 1 UNL1 0.1469 49 H 3.0595 3.5999 1.0884 H 1 UNL1 0.1501 50 H -6.9393 1.5514 0.3348 H 1 UNL1 0.1609 51 H -6.9240 -2.6763 -0.5413 H 1 UNL1 0.1765 52 H 1.5124 5.1337 2.2825 H 1 UNL1 0.1466 53 H 8.2889 -0.0230 0.0381 H 1 UNL1 0.3277 54 H -8.8421 0.1855 0.1480 H 1 UNL1 0.3283 @BOND 1 38 15 1 2 37 15 1 3 42 21 1 4 40 19 1 5 15 12 1 6 15 17 1 7 21 19 ar 8 21 27 ar 9 34 9 1 10 19 14 ar 11 12 7 ar 12 12 10 ar 13 7 16 ar 14 45 24 1 15 47 26 1 16 3 27 1 17 3 53 1 18 51 31 1 19 17 24 ar 20 17 23 ar 21 27 22 ar 22 26 31 ar 23 26 18 ar 24 31 32 ar 25 10 6 2 26 10 5 ar 27 14 9 1 28 14 20 ar 29 6 8 1 30 9 35 1 31 9 8 1 32 16 18 1 33 16 13 ar 34 24 29 ar 35 18 25 ar 36 44 23 1 37 32 4 1 38 32 30 ar 39 4 54 1 40 25 30 ar 41 25 46 1 42 30 50 1 43 23 28 ar 44 5 13 ar 45 5 11 am 46 13 36 1 47 22 20 ar 48 22 43 1 49 8 11 1 50 8 1 1 51 20 41 1 52 29 49 1 53 29 33 ar 54 11 2 2 55 28 33 ar 56 28 48 1 57 33 52 1 58 39 1 1