@MOLECULE 1-[(1r,3s,4r)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodo-2,4(1h,3h)-pyrimidinedione 30 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I -2.4518 1.1143 -0.1833 I 1 UNL1 0.0820 2 O 4.5488 0.8968 -1.7486 O.3 1 UNL1 -0.5638 3 O 2.6398 2.6399 1.9577 O.3 1 UNL1 -0.5376 4 O 1.2984 -3.7131 0.3952 O.2 1 UNL1 -0.4942 5 O -2.9548 -2.2091 0.1120 O.2 1 UNL1 -0.4455 6 N 1.0136 -1.4445 0.2222 N.ar 1 UNL1 -0.4557 7 N -0.8466 -2.9401 0.2630 N.ar 1 UNL1 -0.6256 8 C 3.4287 1.0611 0.3016 C.3 1 UNL1 -0.1909 9 C 2.4826 -1.2426 0.2225 C.3 1 UNL1 0.1079 10 C 2.9014 -0.0945 1.1656 C.3 1 UNL1 -0.3135 11 C 3.2839 0.6326 -1.1746 C.3 1 UNL1 0.1570 12 C 2.9839 -0.8740 -1.1876 C.3 1 UNL1 -0.3768 13 C 2.6888 2.3759 0.5726 C.3 1 UNL1 -0.0148 14 C 0.5347 -2.7782 0.3001 C.ar 1 UNL1 0.6975 15 C 0.1522 -0.3813 0.0670 C.ar 1 UNL1 0.1564 16 C -1.1956 -0.5601 0.0257 C.ar 1 UNL1 -0.3762 17 C -1.7939 -1.8797 0.1286 C.ar 1 UNL1 0.6116 18 H 4.5194 1.2131 0.5088 H 1 UNL1 0.1729 19 H 2.9521 -2.2093 0.5614 H 1 UNL1 0.1842 20 H 3.6841 -0.4484 1.8621 H 1 UNL1 0.1592 21 H 2.0775 0.2334 1.8294 H 1 UNL1 0.1780 22 H 2.5245 1.2210 -1.7283 H 1 UNL1 0.1145 23 H 3.9101 -1.4395 -1.4155 H 1 UNL1 0.1771 24 H 2.2658 -1.1550 -1.9739 H 1 UNL1 0.1619 25 H 1.6178 2.3396 0.2982 H 1 UNL1 0.1367 26 H 3.1653 3.2261 0.0508 H 1 UNL1 0.1257 27 H 4.5703 0.6477 -2.6919 H 1 UNL1 0.3201 28 H 0.6315 0.6096 -0.0114 H 1 UNL1 0.1861 29 H 3.5402 2.7382 2.3263 H 1 UNL1 0.3143 30 H -1.2090 -3.8978 0.3325 H 1 UNL1 0.3517 @BOND 1 27 2 1 2 24 12 1 3 2 11 1 4 22 11 1 5 23 12 1 6 12 11 1 7 12 9 1 8 11 8 1 9 1 16 1 10 28 15 1 11 16 15 ar 12 16 17 ar 13 26 13 1 14 15 6 ar 15 5 17 2 16 17 7 ar 17 6 9 1 18 6 14 ar 19 9 19 1 20 9 10 1 21 7 14 ar 22 7 30 1 23 25 13 1 24 14 4 2 25 8 18 1 26 8 13 1 27 8 10 1 28 13 3 1 29 10 21 1 30 10 20 1 31 3 29 1