@MOLECULE {4-[3-(4-amino-3-iodobenzyl)-2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-1h-purin-8-yl]phenoxy}acetic acid 34 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I -4.6359 -3.7481 -0.5570 I 1 UNL1 0.1239 2 O -4.6661 3.4507 -1.6677 O.2 1 UNL1 -0.4421 3 O 0.8515 4.4232 -2.6558 O.2 1 UNL1 -0.3661 4 O 7.7029 -1.8645 -0.9008 O.3 1 UNL1 -0.3001 5 O 8.9889 -1.5838 3.7661 O.2 2 UNL2 -0.2323 6 O 8.8402 -2.0463 1.4814 O.2 2 UNL2 -0.4743 7 N -0.8230 1.2406 -0.4247 N.pl3 1 UNL1 -0.2475 8 N -0.2715 4.3450 -0.7055 N.am 1 UNL1 -0.5757 9 N 2.4992 2.2427 -1.3566 N.2 1 UNL1 -0.2821 10 N 1.4411 0.3951 -0.4353 N.2 1 UNL1 -0.3711 11 N -4.6416 2.4333 5.0807 N.1 1 UNL1 -0.2596 12 C 0.5257 1.3653 -0.6521 C.2 1 UNL1 0.2291 13 C 1.1924 2.5270 -1.2345 C.3 1 UNL1 -0.0641 14 C -1.5921 0.6495 0.2877 C.3 1 UNL1 0.3898 15 C -3.9603 3.0123 -0.8881 C.2 1 UNL1 0.4419 16 C -1.0274 5.1710 -0.2705 C.1 1 UNL1 0.6404 17 C 0.6315 3.8136 -1.6488 C.2 1 UNL1 0.6951 18 C 2.6482 0.9418 -0.8743 C.2 1 UNL1 0.0390 19 C -1.8674 5.9503 0.3335 C.1 1 UNL1 -0.8260 20 C -2.6525 0.1314 0.9343 C.3 1 UNL1 -0.2007 21 C 3.8710 0.2662 -0.8553 C.ar 1 UNL1 0.2429 22 C -2.6920 6.7186 0.9290 C.3 1 UNL1 0.4153 23 C -3.2483 -1.0532 0.4796 C.1 1 UNL1 0.0311 24 C -3.1779 0.7614 2.0660 C.1 1 UNL1 0.1453 25 C 4.2170 -1.0403 -0.4430 C.ar 1 UNL1 0.0403 26 C 5.1619 0.6730 -1.2651 C.ar 1 UNL1 0.0506 27 C -3.7700 -2.0745 0.0870 C.1 1 UNL1 -0.2235 28 C -3.6482 1.3052 3.0487 C.1 1 UNL1 -0.1808 29 C -4.1831 1.9156 4.1484 C.1 1 UNL1 0.1931 30 C 5.2999 -1.7044 -0.4291 C.ar 1 UNL1 -0.1323 31 C 6.2986 0.1075 -1.2995 C.ar 1 UNL1 -0.1371 32 C 6.5022 -1.1903 -0.8740 C.ar 1 UNL1 0.1256 33 C 8.7070 -2.4299 -0.8742 C.3 1 UNL1 0.8013 34 C 8.9105 -1.8126 2.6316 C.1 2 UNL2 0.7107 @BOND 1 3 17 2 2 2 15 2 3 17 13 1 4 17 8 am 5 9 13 1 6 9 18 2 7 31 26 ar 8 31 32 ar 9 26 21 ar 10 13 12 1 11 4 33 1 12 4 32 1 13 18 21 1 14 18 10 1 15 32 30 ar 16 21 25 ar 17 8 16 1 18 12 10 2 19 12 7 1 20 1 27 1 21 25 30 ar 22 7 14 1 23 16 19 3 24 27 23 3 25 14 20 1 26 19 22 1 27 23 20 1 28 20 24 1 29 6 34 2 30 24 28 3 31 34 5 2 32 28 29 1 33 29 11 3