@MOLECULE 1-[{2,7-bis[(2r,6s)-2,6-dimethyl-4-morpholinyl]-6-phenyl-4-pteridinyl}(2-hydroxyethyl)amino]-2-methyl-2-propanol 41 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -5.3901 3.2439 0.4492 O.2 1 UNL1 -0.1530 2 O 6.3721 2.7778 0.4422 O.2 1 UNL1 -0.1682 3 O 0.7903 -1.5962 -2.5396 O.2 1 UNL1 -0.4779 4 O 5.1098 -3.8724 1.0960 O.3 1 UNL1 -0.3294 5 N -3.1717 1.6372 -0.1253 N.ar 1 UNL1 -0.3190 6 N 3.8973 1.5080 0.1338 N.pl3 1 UNL1 -0.3815 7 N 1.7567 -2.6725 -0.0178 N.pl3 1 UNL1 0.1516 8 N 2.7245 -0.5408 -0.0161 N.ar 1 UNL1 -0.4070 9 N -0.8302 1.5722 -0.1290 N.ar 1 UNL1 -0.3058 10 N 1.5165 1.5561 -0.0591 N.ar 1 UNL1 -0.3597 11 N -0.8657 -1.2607 0.0567 N.ar 1 UNL1 -0.2610 12 C -3.1607 2.9140 -0.6161 C.3 1 UNL1 0.2753 13 C -4.3613 1.0141 0.3204 C.ar 1 UNL1 0.0892 14 C -4.3949 3.6539 -0.4325 C.2 1 UNL1 -0.5405 15 C -5.4937 1.8605 0.5528 C.2 1 UNL1 -0.3509 16 C 4.4352 2.0644 -0.9984 C.2 1 UNL1 0.2175 17 C 4.4880 1.4033 1.3753 C.2 1 UNL1 0.2251 18 C 5.7428 2.6480 -0.7939 C.2 1 UNL1 -0.5265 19 C 5.7878 2.0224 1.4533 C.2 1 UNL1 -0.5334 20 C -1.9684 0.8948 -0.0713 C.ar 1 UNL1 0.3200 21 C 2.6399 0.8338 0.0039 C.ar 1 UNL1 0.5347 22 C 1.5949 -1.2463 -0.0319 C.ar 1 UNL1 0.3666 23 C 0.7148 -3.4581 -0.2267 C.1 1 UNL1 0.2981 24 C -4.4561 4.8520 -1.0217 C.2 1 UNL1 0.5313 25 C -6.6818 1.3744 0.9820 C.3 1 UNL1 0.4799 26 C 0.3107 -0.5861 -0.0422 C.ar 1 UNL1 -0.1145 27 C -0.1788 -4.2540 -0.6362 C.1 1 UNL1 -0.5671 28 C -1.9993 -0.5673 0.0777 C.ar 1 UNL1 0.0911 29 C 0.3454 0.8552 -0.0862 C.ar 1 UNL1 0.3475 30 C 6.3347 3.1112 -1.9007 C.3 1 UNL1 0.5224 31 C 6.4090 1.8552 2.6274 C.3 1 UNL1 0.5375 32 C 2.8946 -3.2024 0.3426 C.1 1 UNL1 -0.6250 33 C 0.1751 -1.5892 -3.5003 C.2 1 UNL1 0.4787 34 C -1.1368 -5.0528 -1.0007 C.3 1 UNL1 0.4265 35 C -3.2557 -1.2253 0.3126 C.ar 1 UNL1 -0.0214 36 C 4.0584 -3.5174 0.7324 C.1 1 UNL1 0.5845 37 C -3.4749 -2.5769 0.4714 C.ar 1 UNL1 0.0517 38 C -4.4428 -0.3751 0.4814 C.ar 1 UNL1 -0.0457 39 C -4.6327 -3.1316 0.7789 C.ar 1 UNL1 -0.0131 40 C -5.6149 -1.0543 0.8136 C.ar 1 UNL1 -0.0743 41 C -5.7088 -2.3557 0.9516 C.ar 1 UNL1 0.0457 @BOND 1 33 3 2 2 30 18 1 3 24 14 2 4 34 27 1 5 16 18 2 6 16 6 1 7 18 2 1 8 27 23 3 9 12 14 1 10 12 5 1 11 14 1 1 12 23 7 1 13 9 29 ar 14 9 20 ar 15 5 20 ar 16 5 13 ar 17 29 10 ar 18 29 26 ar 19 20 28 ar 20 10 21 ar 21 26 22 ar 22 26 11 ar 23 22 7 1 24 22 8 ar 25 7 32 1 26 8 21 ar 27 21 6 1 28 11 28 ar 29 28 35 ar 30 6 17 1 31 35 37 ar 32 35 38 ar 33 13 38 ar 34 13 15 2 35 32 36 3 36 2 19 1 37 1 15 1 38 37 39 ar 39 38 40 ar 40 15 25 1 41 36 4 1 42 39 41 ar 43 40 41 ar 44 17 19 2 45 19 31 1