@MOLECULE 1,3-dimethyl-7-{2-[methyl(1-phenyl-2-propanyl)amino]ethyl}-3,7-dihydro-1h-purine-2,6-dione 26 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.3132 -1.8396 -0.4595 O.2 1 UNL1 -0.1045 2 O -4.6698 -2.2308 -1.1711 O.2 2 UNL2 -0.3160 3 N 1.4908 2.6765 -0.7004 N.1 1 UNL1 -0.4399 4 N -1.8257 1.4384 0.8462 N.pl3 1 UNL1 -0.2991 5 N -4.4330 -0.8851 1.6938 N.1 1 UNL1 -0.6065 6 N -4.8179 -0.2306 -2.4112 N.am 2 UNL2 -0.6468 7 N -3.7642 1.3871 1.9779 N.2 1 UNL1 -0.5938 8 C 2.4418 -0.6971 0.1550 C.1 3 UNL3 -0.4486 9 C 0.3710 2.2279 -0.1866 C.1 1 UNL1 0.0523 10 C -0.6749 1.8137 0.2884 C.1 1 UNL1 0.0498 11 C 3.6922 -0.6784 0.0922 C.1 3 UNL3 0.1020 12 C -2.3285 0.0831 0.7318 C.2 1 UNL1 -0.3574 13 C 1.1337 -0.7337 0.2154 C.3 3 UNL3 0.2819 14 C 2.5026 3.1139 -1.1450 C.1 1 UNL1 0.3495 15 C -3.5828 0.1608 1.5034 C.2 1 UNL1 0.5244 16 C 5.0818 -0.6702 0.0386 C.ar 3 UNL3 -0.0394 17 C -2.7050 2.2364 1.6165 C.3 1 UNL1 0.4228 18 C -1.7607 -0.9409 0.0986 C.1 1 UNL1 0.5504 19 C -4.3143 -1.2804 -1.7477 C.2 2 UNL2 0.4867 20 C 5.8604 0.1482 -0.7838 C.ar 3 UNL3 0.0666 21 C 5.9092 -1.4905 0.8126 C.ar 3 UNL3 0.0597 22 C -5.2457 -1.7225 1.9534 C.1 1 UNL1 0.4536 23 C -5.1516 0.7502 -3.0213 C.1 2 UNL2 0.4759 24 C 7.1816 0.1480 -0.8104 C.ar 3 UNL3 -0.0532 25 C 7.2289 -1.4902 0.7649 C.ar 3 UNL3 -0.0494 26 C 7.8983 -0.6713 -0.0439 C.ar 3 UNL3 0.0790 @BOND 1 23 6 3 2 6 19 am 3 19 2 2 4 14 3 3 5 24 20 ar 6 24 26 ar 7 20 16 ar 8 3 9 1 9 1 18 2 10 9 10 3 11 26 25 ar 12 16 11 1 13 16 21 ar 14 11 8 3 15 18 12 2 16 8 13 1 17 10 4 1 18 12 4 1 19 12 15 1 20 25 21 ar 21 4 17 1 22 15 5 1 23 15 7 2 24 17 7 1 25 5 22 3