@MOLECULE 5-benzyl-1-[(2-hydroxyethoxy)methyl]-2,4(1h,3h)-pyrimidinedione 36 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.8465 -1.6964 0.0354 O.3 1 UNL1 -0.4496 2 O 0.2288 3.7909 -0.3385 O.2 1 UNL1 -0.4712 3 O -3.4620 1.2273 -0.9540 O.2 1 UNL1 -0.5033 4 O -0.0804 -3.8867 0.0031 O.3 1 UNL1 -0.5361 5 N -1.9106 0.5003 0.5708 N.ar 1 UNL1 -0.4467 6 N -1.6174 2.5400 -0.6328 N.ar 1 UNL1 -0.6221 7 C 0.1768 1.6581 0.7539 C.ar 1 UNL1 -0.2513 8 C 1.5971 1.7265 1.2065 C.3 1 UNL1 -0.2564 9 C -0.6029 0.5843 1.0339 C.ar 1 UNL1 0.1308 10 C 2.3886 0.6644 0.4942 C.ar 1 UNL1 0.0144 11 C -2.6347 -0.7587 0.7525 C.3 1 UNL1 0.1563 12 C -0.3265 2.7505 -0.0724 C.ar 1 UNL1 0.6113 13 C -2.3957 1.4046 -0.4049 C.ar 1 UNL1 0.7024 14 C 2.6963 0.8257 -0.8594 C.ar 1 UNL1 -0.1638 15 C 2.7817 -0.4943 1.1642 C.ar 1 UNL1 -0.1904 16 C -2.3327 -3.0300 0.1193 C.3 1 UNL1 -0.0803 17 C 3.3877 -0.1738 -1.5386 C.ar 1 UNL1 -0.1314 18 C 3.4741 -1.4922 0.4802 C.ar 1 UNL1 -0.1372 19 C 3.7763 -1.3348 -0.8705 C.ar 1 UNL1 -0.1595 20 C -1.3025 -3.8214 -0.6977 C.3 1 UNL1 -0.0102 21 H 1.6684 1.6182 2.3096 H 1 UNL1 0.1576 22 H 2.0345 2.7337 0.9998 H 1 UNL1 0.1865 23 H -0.2469 -0.2596 1.6414 H 1 UNL1 0.1815 24 H -3.6570 -0.7016 0.3122 H 1 UNL1 0.1655 25 H -2.6643 -1.0329 1.8285 H 1 UNL1 0.1295 26 H -1.9895 3.2437 -1.2797 H 1 UNL1 0.3479 27 H 2.3900 1.7290 -1.3798 H 1 UNL1 0.1625 28 H 2.5539 -0.6227 2.2195 H 1 UNL1 0.1472 29 H -2.3524 -3.3561 1.1724 H 1 UNL1 0.1321 30 H -3.3440 -3.0880 -0.3179 H 1 UNL1 0.1295 31 H 3.6236 -0.0496 -2.5940 H 1 UNL1 0.1502 32 H 3.7775 -2.3981 1.0020 H 1 UNL1 0.1480 33 H 4.3131 -2.1150 -1.4030 H 1 UNL1 0.1494 34 H -1.1323 -3.3588 -1.6884 H 1 UNL1 0.1377 35 H -1.5966 -4.8788 -0.8185 H 1 UNL1 0.1452 36 H 0.2474 -2.9737 0.1602 H 1 UNL1 0.3239 @BOND 1 31 17 1 2 34 20 1 3 17 19 ar 4 17 14 ar 5 33 19 1 6 27 14 1 7 26 6 1 8 3 13 2 9 19 18 ar 10 14 10 ar 11 35 20 1 12 20 4 1 13 20 16 1 14 6 13 ar 15 6 12 ar 16 13 5 ar 17 2 12 2 18 30 16 1 19 12 7 ar 20 4 36 1 21 1 16 1 22 1 11 1 23 16 29 1 24 24 11 1 25 18 32 1 26 18 15 ar 27 10 15 ar 28 10 8 1 29 5 11 1 30 5 9 ar 31 11 25 1 32 7 9 ar 33 7 8 1 34 22 8 1 35 9 23 1 36 15 28 1 37 8 21 1