@MOLECULE [(2s,5r)-5-(2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)-4-oxotetrahydro-2-furanyl]methyl benzoate 38 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.8152 -2.0516 0.6850 O.3 1 UNL1 -0.3981 2 O 0.9493 -0.9482 1.2088 O.3 1 UNL1 -0.4332 3 O -0.4766 -1.6430 -2.5368 O.2 1 UNL1 -0.3724 4 O -4.2361 -0.0560 -0.2980 O.2 1 UNL1 -0.4998 5 O -2.1966 3.8615 0.7131 O.2 1 UNL1 -0.4787 6 O 2.8326 -2.1465 0.9286 O.2 1 UNL1 -0.4893 7 N -1.9452 -0.0037 -0.4320 N.ar 1 UNL1 -0.4598 8 N -3.2190 1.9248 0.2057 N.ar 1 UNL1 -0.6241 9 C -0.5955 -2.7873 0.8306 C.3 1 UNL1 0.0922 10 C -1.9295 -1.4548 -0.5875 C.3 1 UNL1 0.1847 11 C -0.0019 -2.9695 -0.5672 C.3 1 UNL1 -0.4344 12 C -0.7353 -1.9741 -1.4200 C.2 1 UNL1 0.4179 13 C 0.2976 -2.0463 1.8297 C.3 1 UNL1 -0.0643 14 C -3.2159 0.5840 -0.1684 C.ar 1 UNL1 0.7086 15 C -0.7785 0.7381 -0.3297 C.ar 1 UNL1 0.1869 16 C -0.8054 2.0499 0.0072 C.ar 1 UNL1 -0.4415 17 C -2.0450 2.7224 0.3411 C.ar 1 UNL1 0.6300 18 C 2.2524 -1.0968 0.8327 C.2 1 UNL1 0.5957 19 C 2.7439 0.1763 0.2830 C.ar 1 UNL1 -0.1592 20 C 3.5908 0.1410 -0.8262 C.ar 1 UNL1 -0.0834 21 C 2.3690 1.3891 0.8624 C.ar 1 UNL1 -0.0838 22 C 4.0471 1.3372 -1.3736 C.ar 1 UNL1 -0.1643 23 C 2.8370 2.5810 0.3139 C.ar 1 UNL1 -0.1652 24 C 3.6689 2.5536 -0.8049 C.ar 1 UNL1 -0.0933 25 H -0.9438 -3.7490 1.2774 H 1 UNL1 0.1543 26 H -2.9206 -1.8088 -0.9912 H 1 UNL1 0.2044 27 H -0.1507 -3.9985 -0.9542 H 1 UNL1 0.1921 28 H 1.0959 -2.8249 -0.6036 H 1 UNL1 0.2039 29 H 1.0278 -2.7257 2.3076 H 1 UNL1 0.1567 30 H -0.3172 -1.5465 2.6100 H 1 UNL1 0.1708 31 H 0.1588 0.2122 -0.5662 H 1 UNL1 0.1816 32 H -4.1273 2.3551 0.3995 H 1 UNL1 0.3463 33 H 0.0953 2.6592 0.0402 H 1 UNL1 0.2030 34 H 3.8906 -0.8161 -1.2571 H 1 UNL1 0.1666 35 H 1.7133 1.4023 1.7363 H 1 UNL1 0.1721 36 H 4.7003 1.3215 -2.2448 H 1 UNL1 0.1591 37 H 2.5506 3.5339 0.7592 H 1 UNL1 0.1650 38 H 4.0264 3.4882 -1.2378 H 1 UNL1 0.1530 @BOND 1 3 12 2 2 36 22 1 3 12 10 1 4 12 11 1 5 22 20 ar 6 22 24 ar 7 34 20 1 8 38 24 1 9 26 10 1 10 27 11 1 11 20 19 ar 12 24 23 ar 13 28 11 1 14 10 7 1 15 10 1 1 16 11 9 1 17 31 15 1 18 7 15 ar 19 7 14 ar 20 15 16 ar 21 4 14 2 22 14 8 ar 23 16 33 1 24 16 17 ar 25 8 17 ar 26 8 32 1 27 19 18 1 28 19 21 ar 29 23 37 1 30 23 21 ar 31 17 5 2 32 1 9 1 33 9 25 1 34 9 13 1 35 18 6 2 36 18 2 1 37 21 35 1 38 2 13 1 39 13 29 1 40 13 30 1