@MOLECULE 1-[4-(3-chlorobenzyl)-1-piperazinyl]-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)-2-propanyl benzoate 39 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 9.2561 -0.0221 0.5553 Cl 1 UNL1 0.0358 2 O -2.4248 -2.3123 -0.7353 O.3 1 UNL1 -0.2894 3 O -3.6442 0.9780 1.4022 O.2 1 UNL1 -0.3419 4 O -2.2683 -2.6792 1.5038 O.2 1 UNL1 -0.4092 5 O -4.1037 5.5321 1.3568 O.2 1 UNL1 -0.3590 6 N 0.9627 -1.0673 -0.3907 N.pl3 1 UNL1 -0.1479 7 N 3.2228 1.8042 -0.3569 N.2 1 UNL1 -0.2265 8 N -2.2175 1.0339 -1.0293 N.pl3 1 UNL1 -0.2622 9 N -2.8709 4.6088 -0.3271 N.ar 1 UNL1 -0.5383 10 N -1.6761 3.5750 -2.0799 N.1 1 UNL1 -0.6081 11 N -3.9017 3.2439 1.4847 N.ar 1 UNL1 -0.5843 12 C 2.2324 -1.5538 -0.2247 C.1 1 UNL1 0.1658 13 C 1.1638 0.2993 -0.4630 C.3 1 UNL1 -0.1187 14 C 3.4472 -1.4824 -0.0923 C.1 1 UNL1 -0.1655 15 C 2.0870 1.1204 -0.4562 C.3 1 UNL1 0.0985 16 C -0.1222 -1.8712 -0.4476 C.2 1 UNL1 0.2361 17 C -1.4380 -1.3408 -0.6112 C.2 1 UNL1 -0.1489 18 C 4.3429 1.3203 -0.1614 C.2 1 UNL1 0.1584 19 C -1.8694 -0.0763 -0.6851 C.3 1 UNL1 0.3319 20 C 5.2335 0.2406 0.0335 C.ar 1 UNL1 -0.1383 21 C -2.6428 2.1782 -0.3729 C.ar 1 UNL1 -0.1772 22 C -2.3970 3.4067 -0.9357 C.ar 1 UNL1 0.5116 23 C -1.0286 3.6576 -3.0859 C.1 1 UNL1 0.5142 24 C -3.4081 2.0278 0.8737 C.ar 1 UNL1 0.5473 25 C 6.5904 0.4345 0.2032 C.ar 1 UNL1 0.1129 26 C 4.7837 -1.1475 0.0607 C.ar 1 UNL1 0.1533 27 C -2.7108 -2.9819 0.4332 C.2 1 UNL1 0.5927 28 C -3.6670 4.5211 0.8860 C.ar 1 UNL1 0.6396 29 C 7.6456 -0.4280 0.3815 C.ar 1 UNL1 -0.0791 30 C 5.8564 -1.9828 0.2570 C.ar 1 UNL1 -0.0697 31 C -2.5976 5.8247 -0.8499 C.3 1 UNL1 0.2754 32 C -3.6360 -4.0772 0.1194 C.ar 1 UNL1 -0.1282 33 C -4.5991 3.1783 2.6444 C.3 1 UNL1 0.3032 34 C 7.1095 -1.6973 0.3963 C.ar 1 UNL1 0.0265 35 C -4.2367 -4.8820 1.0865 C.ar 1 UNL1 0.0744 36 C -4.0271 -4.4738 -1.1585 C.ar 1 UNL1 0.0771 37 C -5.0625 -5.8823 0.8211 C.ar 1 UNL1 -0.0618 38 C -4.8524 -5.4777 -1.4116 C.ar 1 UNL1 -0.0652 39 C -5.3889 -6.2034 -0.4305 C.ar 1 UNL1 0.0648 @BOND 1 23 10 3 2 10 22 1 3 38 36 ar 4 38 39 ar 5 36 32 ar 6 8 19 1 7 8 21 1 8 22 21 ar 9 22 9 ar 10 31 9 1 11 2 17 1 12 2 27 1 13 19 17 1 14 17 16 2 15 13 15 1 16 13 6 1 17 15 7 1 18 16 6 1 19 39 37 ar 20 6 12 1 21 21 24 ar 22 7 18 2 23 9 28 ar 24 12 14 3 25 18 20 1 26 14 26 1 27 20 26 ar 28 20 25 ar 29 26 30 ar 30 32 27 1 31 32 35 ar 32 25 29 ar 33 30 34 ar 34 29 34 ar 35 29 1 1 36 27 4 2 37 37 35 ar 38 24 3 2 39 24 11 ar 40 28 5 2 41 28 11 ar 42 11 33 1