@MOLECULE 2'-bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate) 36 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR 2.5400 -2.8892 0.2340 Br 1 UNL1 -0.0673 2 P -4.4196 0.1929 -0.0597 P.3 1 UNL1 0.3465 3 O -0.3928 -0.6164 -1.2044 O.3 1 UNL1 -0.3985 4 O -0.3995 -3.3993 0.1252 O.3 1 UNL1 -0.5296 5 O -2.8475 0.5351 -0.1276 O.3 1 UNL1 -0.3465 6 O -4.8138 0.8322 -1.4714 O.3 1 UNL1 -0.3378 7 O -5.0107 1.2351 0.9817 O.3 1 UNL1 -0.3115 8 O -4.8662 -1.1558 0.2216 O.2 1 UNL1 -0.2241 9 N 1.5854 0.5534 -0.9448 N.ar 1 UNL1 -0.3843 10 N 2.4898 2.4541 -1.8321 N.ar 1 UNL1 -0.3279 11 N 1.0490 1.4472 1.3226 N.ar 1 UNL1 -0.5441 12 N 1.7016 3.7610 1.6014 N.ar 1 UNL1 -0.5696 13 N 2.7224 5.0265 -0.0781 N.pl3 1 UNL1 -0.5447 14 C -0.2424 -2.1107 0.6615 C.3 1 UNL1 0.1035 15 C 0.9860 -0.7784 -0.9642 C.3 1 UNL1 0.2950 16 C -1.1877 -1.2225 -0.1852 C.3 1 UNL1 0.0573 17 C 1.1553 -1.5318 0.3691 C.3 1 UNL1 -0.2318 18 C -1.8478 -0.1195 0.6513 C.3 1 UNL1 -0.0329 19 C 1.5160 1.5232 0.0486 C.ar 1 UNL1 0.3064 20 C 2.1630 1.1925 -2.0819 C.ar 1 UNL1 0.1415 21 C 2.1058 2.7056 -0.5158 C.ar 1 UNL1 -0.2078 22 C 2.1859 3.8472 0.3230 C.ar 1 UNL1 0.4688 23 C 1.1700 2.5931 2.0289 C.ar 1 UNL1 0.3032 24 H -0.0540 -4.0893 0.7287 H 1 UNL1 0.3221 25 H -3.9706 0.8494 -2.0641 H 1 UNL1 0.3266 26 H -4.7210 2.1834 0.7175 H 1 UNL1 0.3102 27 H 2.7652 5.8084 0.5466 H 1 UNL1 0.3244 28 H 3.0860 5.1196 -1.0090 H 1 UNL1 0.3300 29 H -0.4811 -2.1198 1.7431 H 1 UNL1 0.1396 30 H 1.3741 -1.3251 -1.8653 H 1 UNL1 0.1684 31 H -1.9149 -1.8421 -0.7643 H 1 UNL1 0.1922 32 H 1.4804 -0.8599 1.1982 H 1 UNL1 0.2099 33 H -2.1759 -0.4988 1.6378 H 1 UNL1 0.1388 34 H -1.1407 0.7313 0.8152 H 1 UNL1 0.1714 35 H 2.3152 0.6670 -3.0134 H 1 UNL1 0.2021 36 H 0.7961 2.5787 3.0685 H 1 UNL1 0.2005 @BOND 1 35 20 1 2 20 10 ar 3 20 9 ar 4 25 6 1 5 30 15 1 6 10 21 ar 7 6 2 1 8 3 15 1 9 3 16 1 10 28 13 1 11 15 9 1 12 15 17 1 13 9 19 ar 14 31 16 1 15 21 19 ar 16 21 22 ar 17 16 18 1 18 16 14 1 19 5 2 1 20 5 18 1 21 13 22 1 22 13 27 1 23 2 8 2 24 2 7 1 25 19 11 ar 26 4 14 1 27 4 24 1 28 1 17 1 29 22 12 ar 30 17 14 1 31 17 32 1 32 18 34 1 33 18 33 1 34 14 29 1 35 26 7 1 36 11 23 ar 37 12 23 ar 38 23 36 1