@MOLECULE 6-benzyl-1-[(benzyloxy)methyl]-5-isopropyl-2,4(1h,3h)-pyrimidinedione 51 53 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.5939 -2.3177 0.4175 O.3 1 UNL1 -0.4191 2 O 4.8930 -0.1128 0.1154 O.2 1 UNL1 -0.4858 3 O 1.9550 -2.9924 -1.7347 O.2 1 UNL1 -0.5114 4 N 1.0804 -1.1895 -0.6126 N.ar 1 UNL1 -0.4652 5 N 3.4343 -1.5429 -0.7852 N.ar 1 UNL1 -0.6311 6 C 2.5597 0.3358 0.4984 C.ar 1 UNL1 -0.3047 7 C 1.2941 -0.1015 0.2425 C.ar 1 UNL1 0.2953 8 C 2.8560 1.5652 1.3140 C.3 1 UNL1 -0.0103 9 C 0.0753 0.5590 0.8216 C.3 1 UNL1 -0.3378 10 C 3.7203 -0.3764 -0.0216 C.ar 1 UNL1 0.6247 11 C 3.6889 1.2045 2.5507 C.3 1 UNL1 -0.4557 12 C 3.5791 2.6055 0.4473 C.3 1 UNL1 -0.4527 13 C -0.2642 -1.7245 -0.8345 C.3 1 UNL1 0.1454 14 C 2.1515 -1.9955 -1.0731 C.ar 1 UNL1 0.7068 15 C -0.6183 1.4938 -0.1223 C.ar 1 UNL1 0.0200 16 C -0.1120 1.7917 -1.3872 C.ar 1 UNL1 -0.1741 17 C -1.8159 2.0802 0.2986 C.ar 1 UNL1 -0.1813 18 C -1.9060 -2.8429 0.4788 C.3 1 UNL1 -0.0434 19 C -0.8092 2.6536 -2.2323 C.ar 1 UNL1 -0.1272 20 C -2.5072 2.9431 -0.5459 C.ar 1 UNL1 -0.1324 21 C -2.9172 -1.7366 0.5681 C.ar 1 UNL1 -0.0586 22 C -2.0078 3.2274 -1.8164 C.ar 1 UNL1 -0.1655 23 C -3.1135 -1.0760 1.7814 C.ar 1 UNL1 -0.1480 24 C -3.6450 -1.3574 -0.5592 C.ar 1 UNL1 -0.1564 25 C -4.0427 -0.0420 1.8678 C.ar 1 UNL1 -0.1527 26 C -4.5709 -0.3196 -0.4716 C.ar 1 UNL1 -0.1400 27 C -4.7721 0.3364 0.7413 C.ar 1 UNL1 -0.1439 28 H 1.8999 2.0313 1.6687 H 1 UNL1 0.1296 29 H 0.3505 1.1140 1.7542 H 1 UNL1 0.1877 30 H -0.6465 -0.2143 1.1949 H 1 UNL1 0.2033 31 H 3.2089 0.4189 3.1420 H 1 UNL1 0.1417 32 H 3.8351 2.0756 3.1964 H 1 UNL1 0.1401 33 H 4.6866 0.8392 2.2674 H 1 UNL1 0.1710 34 H 3.7366 3.5369 0.9991 H 1 UNL1 0.1410 35 H 3.0050 2.8407 -0.4545 H 1 UNL1 0.1425 36 H 4.5667 2.2431 0.1284 H 1 UNL1 0.1695 37 H -0.2567 -2.5062 -1.6301 H 1 UNL1 0.1654 38 H -0.9778 -0.9081 -1.0818 H 1 UNL1 0.1439 39 H 4.2199 -2.0926 -1.1450 H 1 UNL1 0.3463 40 H 0.8311 1.3614 -1.7234 H 1 UNL1 0.1655 41 H -2.2163 1.8543 1.2853 H 1 UNL1 0.1542 42 H -1.8563 -3.4467 1.4100 H 1 UNL1 0.1583 43 H -2.0897 -3.5313 -0.3653 H 1 UNL1 0.1342 44 H -0.4119 2.8788 -3.2207 H 1 UNL1 0.1509 45 H -3.4400 3.3945 -0.2145 H 1 UNL1 0.1463 46 H -2.5519 3.8975 -2.4772 H 1 UNL1 0.1487 47 H -2.5425 -1.3714 2.6608 H 1 UNL1 0.1574 48 H -3.4975 -1.8689 -1.5091 H 1 UNL1 0.1537 49 H -4.2037 0.4678 2.8161 H 1 UNL1 0.1515 50 H -5.1365 -0.0212 -1.3524 H 1 UNL1 0.1519 51 H -5.4991 1.1433 0.8084 H 1 UNL1 0.1503 @BOND 1 44 19 1 2 46 22 1 3 19 22 ar 4 19 16 ar 5 22 20 ar 6 3 14 2 7 40 16 1 8 37 13 1 9 48 24 1 10 16 15 ar 11 50 26 1 12 39 5 1 13 38 13 1 14 14 5 ar 15 14 4 ar 16 13 4 1 17 13 1 1 18 5 10 ar 19 4 7 ar 20 24 26 ar 21 24 21 ar 22 20 45 1 23 20 17 ar 24 26 27 ar 25 35 12 1 26 43 18 1 27 15 17 ar 28 15 9 1 29 10 2 2 30 10 6 ar 31 36 12 1 32 7 6 ar 33 7 9 1 34 17 41 1 35 1 18 1 36 12 34 1 37 12 8 1 38 18 21 1 39 18 42 1 40 6 8 1 41 21 23 ar 42 27 51 1 43 27 25 ar 44 9 30 1 45 9 29 1 46 8 28 1 47 8 11 1 48 23 25 ar 49 23 47 1 50 25 49 1 51 33 11 1 52 11 31 1 53 11 32 1