@MOLECULE 1,3-dimethyl-7-[2-(4-morpholinyl)-2-oxoethyl]-3,7-dihydro-1h-purine-2,6-dione 39 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.6759 -1.6785 2.0157 O.3 1 UNL1 -0.3687 2 O 3.2493 1.8372 -0.6969 O.2 1 UNL1 -0.5278 3 O -0.7091 -1.4672 -1.8975 O.2 1 UNL1 -0.5255 4 O -4.3522 -0.8370 0.7892 O.2 1 UNL1 -0.4876 5 N 3.0676 -0.4081 -0.4770 N.am 1 UNL1 -0.4423 6 N 0.2568 1.3151 -0.9345 N.ar 1 UNL1 -0.1911 7 N -2.7933 0.8236 0.8128 N.ar 1 UNL1 -0.4050 8 N -2.5120 -1.1640 -0.5347 N.ar 1 UNL1 -0.5139 9 N -0.9692 2.4907 0.5611 N.ar 1 UNL1 -0.4373 10 C 4.1327 -0.4116 0.5445 C.3 1 UNL1 -0.1224 11 C 2.1945 -1.5832 -0.3563 C.3 1 UNL1 -0.1337 12 C 1.3554 0.9110 -1.7852 C.3 1 UNL1 -0.1809 13 C -0.8607 0.5344 -0.6342 C.ar 1 UNL1 -0.3009 14 C 2.6216 0.8190 -0.9149 C.2 1 UNL1 0.5397 15 C 3.5026 -0.5308 1.9448 C.3 1 UNL1 -0.0768 16 C 1.6215 -1.6618 1.0717 C.3 1 UNL1 -0.0749 17 C -1.6147 1.2973 0.2967 C.ar 1 UNL1 0.3245 18 C -1.2907 -0.7499 -1.1094 C.ar 1 UNL1 0.6352 19 C 0.1640 2.4744 -0.1885 C.ar 1 UNL1 0.1654 20 C -3.2933 -0.4199 0.3738 C.ar 1 UNL1 0.6904 21 C -3.6120 1.6304 1.7220 C.3 1 UNL1 -0.2083 22 C -3.0806 -2.4607 -0.9362 C.3 1 UNL1 -0.2106 23 H 4.7539 0.5095 0.4630 H 1 UNL1 0.1745 24 H 4.8022 -1.2769 0.3413 H 1 UNL1 0.1563 25 H 2.8104 -2.4895 -0.5696 H 1 UNL1 0.1649 26 H 1.3824 -1.5789 -1.1153 H 1 UNL1 0.1742 27 H 1.1200 -0.0434 -2.3214 H 1 UNL1 0.2084 28 H 1.5293 1.6792 -2.5828 H 1 UNL1 0.1927 29 H 4.2591 -0.7270 2.7252 H 1 UNL1 0.1491 30 H 2.9194 0.3673 2.2130 H 1 UNL1 0.1341 31 H 0.9322 -0.8287 1.2911 H 1 UNL1 0.1295 32 H 1.1087 -2.6230 1.2596 H 1 UNL1 0.1547 33 H 0.9090 3.2636 -0.2028 H 1 UNL1 0.2174 34 H -3.9936 0.9999 2.5480 H 1 UNL1 0.1676 35 H -4.4765 2.0643 1.1871 H 1 UNL1 0.1559 36 H -3.0098 2.4556 2.1504 H 1 UNL1 0.1791 37 H -2.3766 -3.0065 -1.5928 H 1 UNL1 0.1776 38 H -4.0303 -2.3144 -1.4818 H 1 UNL1 0.1555 39 H -3.2875 -3.0793 -0.0433 H 1 UNL1 0.1608 @BOND 1 28 12 1 2 27 12 1 3 3 18 2 4 12 6 1 5 12 14 1 6 37 22 1 7 38 22 1 8 26 11 1 9 18 13 ar 10 18 8 ar 11 22 8 1 12 22 39 1 13 6 13 ar 14 6 19 ar 15 14 2 2 16 14 5 am 17 13 17 ar 18 25 11 1 19 8 20 ar 20 5 11 1 21 5 10 1 22 11 16 1 23 33 19 1 24 19 9 ar 25 17 9 ar 26 17 7 ar 27 24 10 1 28 20 4 2 29 20 7 ar 30 23 10 1 31 10 15 1 32 7 21 1 33 16 32 1 34 16 31 1 35 16 1 1 36 35 21 1 37 21 36 1 38 21 34 1 39 15 1 1 40 15 30 1 41 15 29 1