@MOLECULE 5-[3-(benzyloxy)benzyl]pyrimidine-2,4-diol 39 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.2540 1.0708 -0.3910 O.3 1 UNL1 -0.3139 2 O 1.6862 -1.5842 1.3432 O.2 1 UNL1 -0.4804 3 O 5.3447 -2.5648 -1.1551 O.2 1 UNL1 -0.4952 4 N 3.4883 -2.0879 0.1017 N.ar 1 UNL1 -0.6195 5 N 4.9988 -0.3814 -0.6108 N.ar 1 UNL1 -0.5258 6 C 2.3085 1.2633 1.4441 C.3 1 UNL1 -0.2631 7 C 1.2319 1.7975 0.5404 C.ar 1 UNL1 0.0885 8 C 3.1212 0.2374 0.7313 C.ar 1 UNL1 -0.2455 9 C 0.0127 1.1224 0.5092 C.ar 1 UNL1 -0.3216 10 C -1.0143 1.6199 -0.2908 C.ar 1 UNL1 0.2631 11 C 1.4292 2.9405 -0.2342 C.ar 1 UNL1 -0.2625 12 C 2.6683 -1.1495 0.7886 C.ar 1 UNL1 0.6148 13 C 4.2354 0.5756 0.0351 C.ar 1 UNL1 0.1232 14 C -0.8374 2.7711 -1.0755 C.ar 1 UNL1 -0.2615 15 C 0.3911 3.4155 -1.0415 C.ar 1 UNL1 -0.0719 16 C -2.4721 -0.0986 0.4125 C.3 1 UNL1 -0.0671 17 C -3.8723 -0.5398 0.1209 C.ar 1 UNL1 -0.0277 18 C 4.6504 -1.7490 -0.5900 C.ar 1 UNL1 0.6946 19 C -4.9269 -0.0885 0.9149 C.ar 1 UNL1 -0.1383 20 C -4.1054 -1.4665 -0.8966 C.ar 1 UNL1 -0.1359 21 C -6.2074 -0.6070 0.7249 C.ar 1 UNL1 -0.1540 22 C -5.3870 -1.9822 -1.0842 C.ar 1 UNL1 -0.1533 23 C -6.4357 -1.5542 -0.2719 C.ar 1 UNL1 -0.1406 24 H 2.9448 2.0887 1.8291 H 1 UNL1 0.1545 25 H 1.8477 0.8166 2.3597 H 1 UNL1 0.1801 26 H -0.0984 0.2134 1.0962 H 1 UNL1 0.1847 27 H 2.3783 3.4623 -0.2130 H 1 UNL1 0.1475 28 H 4.5946 1.6092 -0.0424 H 1 UNL1 0.1744 29 H -1.6555 3.1333 -1.6908 H 1 UNL1 0.1730 30 H 0.5477 4.3041 -1.6532 H 1 UNL1 0.1460 31 H -1.7316 -0.8754 0.1327 H 1 UNL1 0.1464 32 H -2.3319 0.1699 1.4768 H 1 UNL1 0.1400 33 H 3.2161 -3.0742 0.1110 H 1 UNL1 0.3475 34 H 5.8319 -0.1229 -1.1327 H 1 UNL1 0.3396 35 H -4.7496 0.6571 1.6873 H 1 UNL1 0.1548 36 H -3.2881 -1.7951 -1.5369 H 1 UNL1 0.1572 37 H -7.0254 -0.2800 1.3632 H 1 UNL1 0.1495 38 H -5.5653 -2.7256 -1.8582 H 1 UNL1 0.1502 39 H -7.4351 -1.9583 -0.4181 H 1 UNL1 0.1482 @BOND 1 38 22 1 2 29 14 1 3 30 15 1 4 36 20 1 5 3 18 2 6 34 5 1 7 22 20 ar 8 22 23 ar 9 14 15 ar 10 14 10 ar 11 15 11 ar 12 20 17 ar 13 5 18 ar 14 5 13 ar 15 18 4 ar 16 39 23 1 17 1 10 1 18 1 16 1 19 10 9 ar 20 23 21 ar 21 11 27 1 22 11 7 ar 23 28 13 1 24 13 8 ar 25 4 33 1 26 4 12 ar 27 17 16 1 28 17 19 ar 29 31 16 1 30 16 32 1 31 9 7 ar 32 9 26 1 33 7 6 1 34 21 19 ar 35 21 37 1 36 8 12 ar 37 8 6 1 38 12 2 2 39 19 35 1 40 6 24 1 41 6 25 1