@MOLECULE 1,3-dipropyl-3,7-dihydro-1h-purine-2,6-dione 33 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.5204 -2.0645 0.8674 O.2 1 UNL1 -0.4931 2 O -2.0979 2.1266 -0.0625 O.2 1 UNL1 -0.4829 3 N 1.0556 -0.4532 0.5441 N.ar 1 UNL1 -0.4343 4 N -1.3148 0.0447 0.4542 N.ar 1 UNL1 -0.5445 5 N 0.8500 2.9885 -0.3291 N.ar 1 UNL1 -0.2786 6 N 2.5183 1.4851 -0.0005 N.ar 1 UNL1 -0.4329 7 C 2.1495 -1.4390 0.6048 C.3 1 UNL1 -0.0456 8 C 1.3028 0.8495 0.1878 C.ar 1 UNL1 0.3208 9 C -2.7010 -0.4690 0.5397 C.3 1 UNL1 -0.0454 10 C -0.2844 -0.9016 0.6208 C.ar 1 UNL1 0.6997 11 C 0.2461 1.7717 -0.0152 C.ar 1 UNL1 -0.2769 12 C -1.1403 1.4061 0.1011 C.ar 1 UNL1 0.6245 13 C 2.4753 -1.9836 -0.7962 C.3 1 UNL1 -0.2791 14 C -3.1869 -0.9490 -0.8382 C.3 1 UNL1 -0.2722 15 C 3.6113 -2.9977 -0.7036 C.3 1 UNL1 -0.4333 16 C 2.2152 2.7727 -0.3083 C.ar 1 UNL1 0.1447 17 C -4.6177 -1.4682 -0.7280 C.3 1 UNL1 -0.4359 18 H 3.0432 -0.9416 1.0517 H 1 UNL1 0.1636 19 H 1.8443 -2.2670 1.2884 H 1 UNL1 0.1683 20 H -2.7371 -1.3009 1.2813 H 1 UNL1 0.1630 21 H -3.3560 0.3496 0.9222 H 1 UNL1 0.1641 22 H 1.5748 -2.4504 -1.2410 H 1 UNL1 0.1517 23 H 2.7569 -1.1509 -1.4706 H 1 UNL1 0.1515 24 H -3.1333 -0.1178 -1.5684 H 1 UNL1 0.1503 25 H -2.5167 -1.7424 -1.2218 H 1 UNL1 0.1495 26 H 0.3468 3.8290 -0.5213 H 1 UNL1 0.3337 27 H 4.5252 -2.5439 -0.3023 H 1 UNL1 0.1454 28 H 3.3461 -3.8444 -0.0594 H 1 UNL1 0.1464 29 H 3.8570 -3.4044 -1.6918 H 1 UNL1 0.1452 30 H 2.9515 3.5365 -0.5134 H 1 UNL1 0.1970 31 H -4.6882 -2.3132 -0.0329 H 1 UNL1 0.1454 32 H -5.3042 -0.6882 -0.3780 H 1 UNL1 0.1453 33 H -4.9872 -1.8145 -1.7002 H 1 UNL1 0.1443 @BOND 1 33 17 1 2 29 15 1 3 24 14 1 4 23 13 1 5 22 13 1 6 25 14 1 7 14 17 1 8 14 9 1 9 13 15 1 10 13 7 1 11 17 32 1 12 17 31 1 13 15 27 1 14 15 28 1 15 26 5 1 16 30 16 1 17 5 16 ar 18 5 11 ar 19 16 6 ar 20 2 12 2 21 11 12 ar 22 11 8 ar 23 6 8 ar 24 12 4 ar 25 8 3 ar 26 4 9 1 27 4 10 ar 28 9 21 1 29 9 20 1 30 3 7 1 31 3 10 ar 32 7 18 1 33 7 19 1 34 10 1 2