@MOLECULE 1-ethoxymethyl-5-ethyl-6-(3,5-dimethylbenzyl)uracil 47 48 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.3246 -2.6608 0.1054 O.3 1 UNL1 -0.4422 2 O 4.0091 2.0020 -0.0677 O.2 1 UNL1 -0.4864 3 O 2.3732 -1.4422 -2.4932 O.2 1 UNL1 -0.5120 4 N 1.0865 -0.6911 -0.7464 N.ar 1 UNL1 -0.4632 5 N 3.2052 0.2888 -1.2702 N.ar 1 UNL1 -0.6251 6 C 0.9654 0.1357 0.3733 C.ar 1 UNL1 0.3099 7 C -0.2478 -0.0458 1.2423 C.3 1 UNL1 -0.3346 8 C 1.9121 1.0823 0.6330 C.ar 1 UNL1 -0.3053 9 C -1.4960 0.4708 0.5906 C.ar 1 UNL1 0.0506 10 C 1.8394 2.0364 1.7811 C.3 1 UNL1 -0.2102 11 C 0.1345 -1.7792 -0.9932 C.3 1 UNL1 0.1498 12 C 3.1033 1.2101 -0.1924 C.ar 1 UNL1 0.6164 13 C 2.2472 -0.6794 -1.5589 C.ar 1 UNL1 0.7058 14 C -1.4789 1.6761 -0.1074 C.ar 1 UNL1 -0.2366 15 C -2.6810 -0.2600 0.7016 C.ar 1 UNL1 -0.2540 16 C -2.6470 2.1519 -0.7087 C.ar 1 UNL1 0.0881 17 C -3.8474 0.2149 0.1025 C.ar 1 UNL1 0.0824 18 C 2.4256 1.4052 3.0474 C.3 1 UNL1 -0.4312 19 C -3.8292 1.4199 -0.6049 C.ar 1 UNL1 -0.2473 20 C -2.6116 3.4375 -1.4634 C.3 1 UNL1 -0.4610 21 C -5.1201 -0.5552 0.2130 C.3 1 UNL1 -0.4614 22 C -0.5693 -3.7699 0.0883 C.3 1 UNL1 -0.0056 23 C -0.2949 -4.4790 1.4080 C.3 1 UNL1 -0.4550 24 H -0.1107 0.4732 2.2221 H 1 UNL1 0.1905 25 H -0.3494 -1.1215 1.5308 H 1 UNL1 0.1978 26 H 2.4050 2.9665 1.5390 H 1 UNL1 0.1660 27 H 0.7993 2.3756 1.9592 H 1 UNL1 0.1387 28 H 0.3741 -2.3095 -1.9449 H 1 UNL1 0.1651 29 H -0.9085 -1.3903 -0.9988 H 1 UNL1 0.1401 30 H -0.5568 2.2488 -0.1899 H 1 UNL1 0.1704 31 H -2.6969 -1.1927 1.2572 H 1 UNL1 0.1557 32 H 4.0332 0.3250 -1.8691 H 1 UNL1 0.3463 33 H 2.3594 2.0891 3.8995 H 1 UNL1 0.1397 34 H 3.4871 1.1611 2.9042 H 1 UNL1 0.1563 35 H 1.9128 0.4770 3.3175 H 1 UNL1 0.1381 36 H -4.7396 1.7843 -1.0719 H 1 UNL1 0.1563 37 H -3.6020 3.7565 -1.8124 H 1 UNL1 0.1541 38 H -2.2083 4.2550 -0.8470 H 1 UNL1 0.1642 39 H -1.9667 3.3550 -2.3526 H 1 UNL1 0.1678 40 H -5.8607 -0.0066 0.8150 H 1 UNL1 0.1628 41 H -4.9859 -1.5368 0.6855 H 1 UNL1 0.1551 42 H -5.5727 -0.7303 -0.7738 H 1 UNL1 0.1606 43 H -1.6109 -3.4114 0.0153 H 1 UNL1 0.1122 44 H -0.3320 -4.4050 -0.7840 H 1 UNL1 0.1225 45 H -0.8559 -5.4160 1.4816 H 1 UNL1 0.1484 46 H 0.7744 -4.7160 1.5077 H 1 UNL1 0.1658 47 H -0.5616 -3.8500 2.2655 H 1 UNL1 0.1534 @BOND 1 3 13 2 2 39 20 1 3 28 11 1 4 32 5 1 5 37 20 1 6 13 5 ar 7 13 4 ar 8 20 38 1 9 20 16 1 10 5 12 ar 11 36 19 1 12 29 11 1 13 11 4 1 14 11 1 1 15 44 22 1 16 42 21 1 17 4 6 ar 18 16 19 ar 19 16 14 ar 20 19 17 ar 21 12 2 2 22 12 8 ar 23 30 14 1 24 14 9 ar 25 43 22 1 26 22 1 1 27 22 23 1 28 17 21 1 29 17 15 ar 30 21 41 1 31 21 40 1 32 6 8 ar 33 6 7 1 34 9 15 ar 35 9 7 1 36 8 10 1 37 15 31 1 38 7 25 1 39 7 24 1 40 23 45 1 41 23 46 1 42 23 47 1 43 26 10 1 44 10 27 1 45 10 18 1 46 34 18 1 47 18 35 1 48 18 33 1