@MOLECULE 5-[(5-methyl-2,4-dioxohexahydro-5-pyrimidinyl)methyl]-2,4(1h,3h)-pyrimidinedione 30 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.4119 0.2301 1.9241 O.2 1 UNL1 -0.4791 2 O 3.9578 1.7404 -0.4588 O.2 1 UNL1 -0.5110 3 O -0.4956 1.8666 -0.5163 O.2 1 UNL1 -0.4685 4 O -4.7823 0.6386 0.3565 O.2 1 UNL1 -0.4907 5 N 3.3525 -0.4264 -0.7677 N.am 1 UNL1 -0.6228 6 N 2.2474 0.9435 0.8407 N.am 1 UNL1 -0.6265 7 N -2.6216 1.2841 -0.0676 N.ar 1 UNL1 -0.6080 8 N -3.3249 -0.9891 -0.2829 N.ar 1 UNL1 -0.5289 9 C 1.1832 -1.2095 0.1395 C.3 1 UNL1 -0.0222 10 C 0.3483 -0.8301 -1.1082 C.3 1 UNL1 -0.2488 11 C 2.6281 -1.5924 -0.2665 C.3 1 UNL1 -0.0776 12 C 0.5606 -2.3804 0.8954 C.3 1 UNL1 -0.4557 13 C 1.2203 0.0163 1.0537 C.2 1 UNL1 0.5851 14 C -1.0458 -0.4491 -0.7551 C.ar 1 UNL1 -0.2642 15 C 3.2384 0.8119 -0.1545 C.2 1 UNL1 0.7205 16 C -1.2944 0.9624 -0.4594 C.ar 1 UNL1 0.6137 17 C -2.0479 -1.3596 -0.6610 C.ar 1 UNL1 0.1273 18 C -3.6505 0.3529 0.0346 C.ar 1 UNL1 0.6981 19 H 0.3630 -1.6690 -1.8322 H 1 UNL1 0.1516 20 H 0.8448 0.0168 -1.6441 H 1 UNL1 0.1884 21 H 3.1634 -2.0301 0.6116 H 1 UNL1 0.1453 22 H 2.6089 -2.3753 -1.0550 H 1 UNL1 0.1486 23 H 1.1890 -2.7146 1.7316 H 1 UNL1 0.1582 24 H -0.4043 -2.0908 1.3459 H 1 UNL1 0.1777 25 H 0.3854 -3.2407 0.2431 H 1 UNL1 0.1453 26 H 4.0974 -0.5684 -1.4332 H 1 UNL1 0.3335 27 H 2.1956 1.8457 1.3259 H 1 UNL1 0.3521 28 H -1.8980 -2.4278 -0.8679 H 1 UNL1 0.1683 29 H -2.8326 2.2559 0.1865 H 1 UNL1 0.3521 30 H -4.0693 -1.6753 -0.2072 H 1 UNL1 0.3379 @BOND 1 19 10 1 2 20 10 1 3 26 5 1 4 10 14 1 5 10 9 1 6 22 11 1 7 28 17 1 8 5 11 1 9 5 15 am 10 14 17 ar 11 14 16 ar 12 17 8 ar 13 3 16 2 14 16 7 ar 15 2 15 2 16 8 30 1 17 8 18 ar 18 11 9 1 19 11 21 1 20 15 6 am 21 7 18 ar 22 7 29 1 23 18 4 2 24 9 12 1 25 9 13 1 26 25 12 1 27 6 13 am 28 6 27 1 29 12 24 1 30 12 23 1 31 13 1 2