@MOLECULE 7-[2-hydroxy-4-phenyl-3-(1-piperazinyl)butyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione 30 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.6584 3.5402 -0.5890 O.2 1 UNL1 -0.2657 2 O 0.1694 -0.6335 1.7451 O.2 1 UNL1 -0.4636 3 O -6.0086 -0.5080 0.3831 O.2 1 UNL1 -0.4157 4 N 5.7947 0.8654 0.9634 N.1 2 UNL2 -0.4430 5 N 3.4772 -2.1945 0.9663 N.1 2 UNL2 -0.4468 6 N -0.8048 3.1873 -0.3359 N.3 1 UNL1 -0.1661 7 N -4.0615 0.6681 0.2575 N.am 1 UNL1 -0.6404 8 N -2.9362 2.2856 -0.1365 N.pl3 1 UNL1 -0.6444 9 N -4.0786 -1.5864 0.9460 N.am 1 UNL1 -0.6639 10 C 1.7491 1.3646 -1.0006 C.1 1 UNL1 -0.3424 11 C 1.7939 2.7272 -0.6886 C.2 1 UNL1 0.5758 12 C 4.9934 -0.1704 0.9570 C.1 2 UNL2 0.0585 13 C 6.5294 1.8004 0.9841 C.1 2 UNL2 0.3636 14 C 1.5141 0.1832 -1.1896 C.1 1 UNL1 0.2537 15 C 0.3404 3.1008 -0.4530 C.3 1 UNL1 0.1967 16 C 4.2601 -1.1458 0.9610 C.1 2 UNL2 0.0873 17 C 2.7501 -3.1358 0.9883 C.1 2 UNL2 0.3801 18 C 1.0539 -1.1243 -1.3253 C.ar 1 UNL1 -0.0542 19 C -1.5243 0.2020 0.3938 C.1 1 UNL1 -0.5907 20 C -2.2499 3.3754 -0.3551 C.3 1 UNL1 0.4532 21 C -2.5890 0.8500 0.2271 C.2 1 UNL1 0.3579 22 C -0.0106 -1.5362 -0.3993 C.ar 1 UNL1 0.0372 23 C 1.4140 -2.0859 -2.2406 C.ar 1 UNL1 -0.0388 24 C -0.4583 -0.6042 0.7044 C.2 1 UNL1 0.5249 25 C -4.8136 -0.4935 0.5229 C.2 1 UNL1 0.7995 26 C -0.4524 -2.8051 -0.6325 C.ar 1 UNL1 -0.0480 27 C 0.9061 -3.2550 -2.3485 C.ar 1 UNL1 0.0021 28 C -0.0642 -3.6482 -1.5164 C.ar 1 UNL1 0.0627 29 C -4.4096 1.9752 -0.0681 C.3 1 UNL1 0.6025 30 C -3.4531 -2.5311 1.3252 C.1 1 UNL1 0.4682 @BOND 1 27 23 ar 2 27 28 ar 3 23 18 ar 4 28 26 ar 5 18 14 1 6 18 22 ar 7 14 10 3 8 10 11 1 9 11 1 2 10 11 15 1 11 26 22 ar 12 15 6 1 13 22 24 1 14 20 6 1 15 20 8 1 16 8 29 1 17 8 21 1 18 29 7 1 19 21 7 1 20 21 19 2 21 7 25 am 22 3 25 2 23 19 24 2 24 25 9 am 25 24 2 1 26 9 30 3 27 12 16 3 28 12 4 1 29 16 5 1 30 4 13 3 31 5 17 3