@MOLECULE 1-benzoyl-5-ethyl-5-(3-methylbutyl)-2,4,6(1h,3h,5h)-pyrimidinetrione 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.1746 -0.5185 -2.0949 O.2 1 UNL1111111111 -0.3756 2 O 2.9474 -1.8912 1.9263 O.2 1 UNL1111111111 -0.4441 3 O -1.5062 -2.0877 1.2066 O.2 1 UNL1111111111 -0.4608 4 O -1.3673 -0.8960 -2.3842 O.2 1 UNL1111111111 -0.3626 5 N -0.2586 -0.9817 -0.3817 N.am 1 UNL1111111111 -0.6700 6 N 0.7329 -1.9636 1.5646 N.am 1 UNL1111111111 -0.6513 7 C 2.1491 -0.5134 0.1066 C.3 1 UNL1111111111 -0.1260 8 C 1.9823 0.8892 0.7446 C.3 1 UNL1111111111 -0.2735 9 C 2.0548 2.0281 -0.2782 C.3 1 UNL1111111111 -0.2867 10 C 3.5254 -0.6663 -0.5724 C.3 1 UNL1111111111 -0.2352 11 C 1.8419 3.4071 0.3757 C.3 1 UNL1111111111 -0.0550 12 C 1.0356 -0.6820 -0.9187 C.2 1 UNL1111111111 0.5810 13 C 2.0291 -1.5117 1.2470 C.2 1 UNL1111111111 0.5808 14 C 3.7390 -2.0464 -1.1899 C.3 1 UNL1111111111 -0.4468 15 C 0.4610 3.5282 1.0300 C.3 1 UNL1111111111 -0.4525 16 C 2.0010 4.4815 -0.7099 C.3 1 UNL1111111111 -0.4598 17 C -0.4308 -1.6945 0.8244 C.2 1 UNL1111111111 0.7272 18 C -1.4339 -0.7069 -1.2043 C.2 1 UNL1111111111 0.6076 19 C -2.6143 -0.1756 -0.4932 C.ar 1 UNL1111111111 -0.1319 20 C -2.4951 0.6752 0.6071 C.ar 1 UNL1111111111 -0.0858 21 C -3.8762 -0.5424 -0.9647 C.ar 1 UNL1111111111 -0.0746 22 C -3.6393 1.1570 1.2379 C.ar 1 UNL1111111111 -0.1647 23 C -5.0167 -0.0476 -0.3342 C.ar 1 UNL1111111111 -0.1652 24 C -4.9020 0.7991 0.7674 C.ar 1 UNL1111111111 -0.1023 25 H 1.0111 0.9349 1.2822 H 1 UNL1111111111 0.1542 26 H 2.7652 1.0341 1.5168 H 1 UNL1111111111 0.1619 27 H 3.0449 2.0221 -0.7802 H 1 UNL1111111111 0.1454 28 H 1.3151 1.8857 -1.0868 H 1 UNL1111111111 0.1550 29 H 4.3210 -0.4589 0.1733 H 1 UNL1111111111 0.1593 30 H 3.6312 0.1097 -1.3602 H 1 UNL1111111111 0.1595 31 H 2.6233 3.5665 1.1573 H 1 UNL1111111111 0.1276 32 H 3.6739 -2.8481 -0.4453 H 1 UNL1111111111 0.1536 33 H 3.0108 -2.2560 -1.9841 H 1 UNL1111111111 0.1601 34 H 4.7366 -2.1177 -1.6465 H 1 UNL1111111111 0.1517 35 H 0.6259 -2.5796 2.3788 H 1 UNL1111111111 0.3508 36 H 0.3881 2.9279 1.9427 H 1 UNL1111111111 0.1392 37 H -0.3361 3.2152 0.3490 H 1 UNL1111111111 0.1482 38 H 0.2528 4.5664 1.3153 H 1 UNL1111111111 0.1437 39 H 1.2429 4.3720 -1.4949 H 1 UNL1111111111 0.1511 40 H 1.8989 5.4896 -0.2963 H 1 UNL1111111111 0.1429 41 H 2.9839 4.4241 -1.1896 H 1 UNL1111111111 0.1433 42 H -1.5127 0.9587 0.9824 H 1 UNL1111111111 0.1530 43 H -3.9685 -1.2179 -1.8171 H 1 UNL1111111111 0.1682 44 H -3.5472 1.8111 2.1019 H 1 UNL1111111111 0.1537 45 H -6.0016 -0.3227 -0.7058 H 1 UNL1111111111 0.1560 46 H -5.7960 1.1800 1.2604 H 1 UNL1111111111 0.1495 @BOND 1 1 12 2 2 2 13 2 3 3 17 2 4 4 18 2 5 5 12 am 6 5 17 am 7 5 18 am 8 6 13 am 9 6 17 am 10 6 35 1 11 7 8 1 12 7 10 1 13 7 12 1 14 7 13 1 15 8 9 1 16 8 25 1 17 8 26 1 18 9 11 1 19 9 27 1 20 9 28 1 21 10 14 1 22 10 29 1 23 10 30 1 24 11 15 1 25 11 16 1 26 11 31 1 27 14 32 1 28 14 33 1 29 14 34 1 30 15 36 1 31 15 37 1 32 15 38 1 33 16 39 1 34 16 40 1 35 16 41 1 36 18 19 1 37 19 20 ar 38 19 21 ar 39 20 22 ar 40 20 42 1 41 21 23 ar 42 21 43 1 43 22 24 ar 44 22 44 1 45 23 24 ar 46 23 45 1 47 24 46 1