@MOLECULE 2-[hydroxy(1-methyl-5-nitro-1h-imidazol-2-yl)methyl]-4,6-bis(2-methyl-2-propanyl)phenol 53 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.9997 -2.5373 0.0724 O.3 1 UNL1 -0.5192 2 O -0.2947 -2.6293 -1.5334 O.3 1 UNL1 -0.4916 3 O -5.9071 0.6365 0.0365 O.2 1 UNL1 -0.3866 4 O -4.9088 0.1226 1.8777 O.2 1 UNL1 -0.4447 5 N -2.6995 -0.8668 0.4673 N.ar 1 UNL1 -0.1965 6 N -2.4656 -0.8991 -1.7733 N.ar 1 UNL1 -0.3460 7 N -4.9611 0.1771 0.6548 N.pl3 1 UNL1 0.6743 8 C 4.3457 -0.7553 0.4340 C.3 1 UNL1 0.1244 9 C 1.0334 3.0158 -0.2671 C.3 1 UNL1 0.1250 10 C 2.9319 -0.2805 0.1722 C.ar 1 UNL1 -0.1478 11 C 1.3276 1.5290 -0.2036 C.ar 1 UNL1 -0.0619 12 C 2.6198 1.0760 0.0780 C.ar 1 UNL1 -0.1218 13 C 0.5600 -0.7660 -0.2519 C.ar 1 UNL1 -0.1747 14 C 1.8727 -1.1831 0.0054 C.ar 1 UNL1 0.2584 15 C 0.3061 0.5952 -0.3741 C.ar 1 UNL1 -0.1097 16 C 4.8189 -1.6279 -0.7448 C.3 1 UNL1 -0.4652 17 C 5.3464 0.4082 0.5679 C.3 1 UNL1 -0.4587 18 C 4.3861 -1.5484 1.7547 C.3 1 UNL1 -0.4657 19 C 0.7936 3.4971 1.1761 C.3 1 UNL1 -0.4580 20 C -0.2147 3.3160 -1.1156 C.3 1 UNL1 -0.4610 21 C 2.2139 3.7888 -0.8834 C.3 1 UNL1 -0.4615 22 C -0.5100 -1.8165 -0.3974 C.3 1 UNL1 0.1731 23 C -1.8719 -1.2096 -0.5882 C.ar 1 UNL1 0.2108 24 C -3.8611 -0.3137 -0.0922 C.ar 1 UNL1 -0.1617 25 C -3.6868 -0.3558 -1.4941 C.ar 1 UNL1 0.0510 26 C -2.4357 -0.9773 1.8883 C.3 1 UNL1 -0.2504 27 H 2.9242 -2.8305 0.2913 H 1 UNL1 0.3469 28 H 0.6555 -2.8928 -1.5612 H 1 UNL1 0.3290 29 H 3.4053 1.8190 0.2263 H 1 UNL1 0.1616 30 H -0.7042 0.9341 -0.6141 H 1 UNL1 0.1727 31 H 4.7759 -1.0622 -1.6853 H 1 UNL1 0.1613 32 H 4.2137 -2.5274 -0.8905 H 1 UNL1 0.1383 33 H 5.8561 -1.9539 -0.6052 H 1 UNL1 0.1524 34 H 5.3833 1.0161 -0.3433 H 1 UNL1 0.1516 35 H 6.3617 0.0335 0.7435 H 1 UNL1 0.1503 36 H 5.0965 1.0634 1.4093 H 1 UNL1 0.1483 37 H 3.7767 -2.4572 1.7337 H 1 UNL1 0.1358 38 H 4.0156 -0.9349 2.5862 H 1 UNL1 0.1572 39 H 5.4101 -1.8516 2.0020 H 1 UNL1 0.1530 40 H -0.0556 2.9763 1.6320 H 1 UNL1 0.1482 41 H 0.5789 4.5701 1.2043 H 1 UNL1 0.1470 42 H 1.6679 3.3154 1.8088 H 1 UNL1 0.1437 43 H -1.1327 2.9476 -0.6452 H 1 UNL1 0.1467 44 H -0.1378 2.8612 -2.1106 H 1 UNL1 0.1562 45 H -0.3457 4.3945 -1.2568 H 1 UNL1 0.1478 46 H 3.0961 3.7816 -0.2368 H 1 UNL1 0.1404 47 H 1.9540 4.8404 -1.0493 H 1 UNL1 0.1478 48 H 2.4981 3.3634 -1.8526 H 1 UNL1 0.1521 49 H -0.5058 -2.5050 0.4931 H 1 UNL1 0.1477 50 H -4.3665 -0.0267 -2.2646 H 1 UNL1 0.2012 51 H -1.4250 -1.3760 2.0835 H 1 UNL1 0.1635 52 H -3.1812 -1.6415 2.3749 H 1 UNL1 0.1820 53 H -2.5182 0.0142 2.3830 H 1 UNL1 0.1832 @BOND 1 50 25 1 2 44 20 1 3 48 21 1 4 6 25 ar 5 6 23 ar 6 31 16 1 7 28 2 1 8 2 22 1 9 25 24 ar 10 45 20 1 11 20 43 1 12 20 9 1 13 47 21 1 14 32 16 1 15 21 9 1 16 21 46 1 17 16 33 1 18 16 8 1 19 30 15 1 20 23 22 1 21 23 5 ar 22 22 13 1 23 22 49 1 24 15 13 ar 25 15 11 ar 26 34 17 1 27 9 11 1 28 9 19 1 29 13 14 ar 30 11 12 ar 31 24 5 ar 32 24 7 1 33 14 1 1 34 14 10 ar 35 3 7 2 36 1 27 1 37 12 10 ar 38 12 29 1 39 10 8 1 40 8 17 1 41 8 18 1 42 5 26 1 43 17 35 1 44 17 36 1 45 7 4 2 46 19 41 1 47 19 40 1 48 19 42 1 49 37 18 1 50 18 39 1 51 18 38 1 52 26 51 1 53 26 52 1 54 26 53 1