@MOLECULE 5-(2-bromoethyl)-2'-deoxyuridine 34 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -4.3133 -0.8783 0.1358 Br 1 UNL1 -0.1379 2 O4* 2.6204 -1.0475 -1.1688 O.3 1 UNL1 -0.3780 3 O3* 5.0406 -2.0353 0.6324 O.3 1 UNL1 -0.5489 4 O5* 0.6302 -2.7603 -0.4468 O.3 1 UNL1 -0.5313 5 O 2.9414 2.7980 0.2314 O.2 1 UNL1 -0.5274 6 O -1.5732 3.1268 0.4138 O.2 1 UNL1 -0.4785 7 N 1.7270 0.9927 -0.4779 N.ar 1 UNL1 -0.5109 8 N 0.6652 2.9781 0.3149 N.ar 1 UNL1 -0.6225 9 C1* 2.9890 0.2470 -0.7817 C.3 1 UNL1 0.3238 10 C3* 3.8321 -1.3479 0.8646 C.3 1 UNL1 0.1105 11 C2* 3.9156 0.1273 0.4406 C.3 1 UNL1 -0.3933 12 C4* 2.8239 -1.9871 -0.1164 C.3 1 UNL1 0.0665 13 C5* 1.4939 -2.3060 0.5790 C.3 1 UNL1 -0.0567 14 C 0.4942 0.4501 -0.7886 C.ar 1 UNL1 0.1566 15 C 1.8499 2.3031 0.0345 C.ar 1 UNL1 0.7007 16 C -0.6587 1.1180 -0.5174 C.ar 1 UNL1 -0.3118 17 C -0.6348 2.4405 0.0844 C.ar 1 UNL1 0.6116 18 C -1.9992 0.5364 -0.8178 C.3 1 UNL1 -0.2332 19 C -2.6638 0.1221 0.4897 C.3 1 UNL1 -0.2185 20 H1* 3.4597 0.7062 -1.6862 H 1 UNL1 0.1656 21 H3* 3.5639 -1.4779 1.9319 H 1 UNL1 0.1277 22 H2*1 3.6424 0.8154 1.2606 H 1 UNL1 0.1876 23 H2*2 4.9496 0.4092 0.1636 H 1 UNL1 0.1820 24 H4* 3.2382 -2.8738 -0.6514 H 1 UNL1 0.1850 25 H5*1 1.0270 -1.4083 1.0263 H 1 UNL1 0.1350 26 H5*2 1.6302 -3.0801 1.3536 H 1 UNL1 0.1250 27 H 0.4981 -0.5542 -1.2606 H 1 UNL1 0.2205 28 H3* 5.7836 -1.6214 1.1151 H 1 UNL1 0.3228 29 H 0.7402 3.9242 0.6982 H 1 UNL1 0.3467 30 H -1.9111 -0.3226 -1.5172 H 1 UNL1 0.1602 31 H -2.6289 1.2860 -1.3534 H 1 UNL1 0.1767 32 H5* -0.0014 -3.4212 -0.0994 H 1 UNL1 0.3171 33 H -2.9517 1.0010 1.0941 H 1 UNL1 0.1774 34 H -2.0251 -0.5361 1.0940 H 1 UNL1 0.1497 @BOND 1 20 9 1 2 30 18 1 3 31 18 1 4 27 14 1 5 2 9 1 6 2 12 1 7 18 16 1 8 18 19 1 9 14 16 ar 10 14 7 ar 11 9 7 1 12 9 11 1 13 24 12 1 14 16 17 ar 15 7 15 ar 16 4 32 1 17 4 13 1 18 12 13 1 19 12 10 1 20 15 5 2 21 15 8 ar 22 17 8 ar 23 17 6 2 24 1 19 1 25 23 11 1 26 8 29 1 27 11 10 1 28 11 22 1 29 19 34 1 30 19 33 1 31 13 25 1 32 13 26 1 33 3 10 1 34 3 28 1 35 10 21 1