@MOLECULE 3'-deoxy-5'-o-[(e)-2-iodovinyl]-3-methyluridine 35 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I -4.4133 0.4192 0.0732 I 1 UNL1 0.0048 2 O 1.7475 -1.8236 -1.1210 O.3 1 UNL1 -0.3851 3 O 4.6627 -2.4790 0.6178 O.3 1 UNL1 -0.5422 4 O -0.8163 -1.8275 -0.4003 O.2 1 UNL1 -0.3153 5 O 4.9739 0.3874 -0.1392 O.2 1 UNL1 -0.5574 6 O 2.3578 4.0880 0.3498 O.2 1 UNL1 -0.4778 7 N 2.7168 0.1325 -0.2932 N.ar 1 UNL1 -0.5028 8 N 3.6926 2.2905 0.0258 N.ar 1 UNL1 -0.5083 9 C 3.3169 -2.1010 0.6790 C.3 1 UNL1 0.1134 10 C 2.9419 -1.2953 -0.6043 C.3 1 UNL1 0.2330 11 C 2.4383 -3.3574 0.5691 C.3 1 UNL1 -0.3584 12 C 1.2681 -2.9011 -0.3130 C.3 1 UNL1 0.1081 13 C 0.0839 -2.4206 0.5421 C.3 1 UNL1 -0.1139 14 C 3.8833 0.9266 -0.1407 C.ar 1 UNL1 0.7052 15 C 1.4503 0.6806 -0.2777 C.ar 1 UNL1 0.1730 16 C 1.2797 1.9980 -0.0123 C.ar 1 UNL1 -0.4466 17 C 2.4037 2.8990 0.1508 C.ar 1 UNL1 0.6237 18 C 4.8962 3.1332 -0.0034 C.3 1 UNL1 -0.2179 19 C -1.9746 -1.3585 0.1626 C.2 1 UNL1 0.0806 20 C -2.5825 -0.3882 -0.5261 C.2 1 UNL1 -0.3222 21 H 3.1454 -1.5342 1.6151 H 1 UNL1 0.1374 22 H 3.7064 -1.3852 -1.4220 H 1 UNL1 0.1814 23 H 3.0103 -4.1814 0.0984 H 1 UNL1 0.1874 24 H 2.1232 -3.7390 1.5507 H 1 UNL1 0.1627 25 H 0.9428 -3.6454 -1.0737 H 1 UNL1 0.1625 26 H 0.3874 -1.6579 1.2775 H 1 UNL1 0.1412 27 H -0.4032 -3.2670 1.0492 H 1 UNL1 0.1359 28 H 5.2271 -1.6619 0.5379 H 1 UNL1 0.3532 29 H 0.6072 -0.0019 -0.4870 H 1 UNL1 0.2043 30 H 0.2941 2.4548 0.0546 H 1 UNL1 0.2063 31 H 5.6113 2.8210 0.7783 H 1 UNL1 0.1591 32 H 4.6263 4.1955 0.1681 H 1 UNL1 0.1801 33 H 5.3987 3.0543 -0.9842 H 1 UNL1 0.1542 34 H -2.2985 -1.8307 1.0792 H 1 UNL1 0.1481 35 H -2.2051 0.0559 -1.4424 H 1 UNL1 0.1924 @BOND 1 35 20 1 2 22 10 1 3 2 10 1 4 2 12 1 5 25 12 1 6 33 18 1 7 10 7 1 8 10 9 1 9 20 1 1 10 20 19 2 11 29 15 1 12 4 19 1 13 4 13 1 14 12 13 1 15 12 11 1 16 7 15 ar 17 7 14 ar 18 15 16 ar 19 14 5 2 20 14 8 ar 21 16 30 1 22 16 17 ar 23 18 8 1 24 18 32 1 25 18 31 1 26 8 17 ar 27 23 11 1 28 17 6 2 29 19 34 1 30 28 3 1 31 13 27 1 32 13 26 1 33 11 9 1 34 11 24 1 35 3 9 1 36 9 21 1