@MOLECULE 5-[(z)-2-bromovinyl]-2'-deoxyuridine 32 33 0 0 0 SMALL USER_CHARGES @ATOM 1 O5* -3.2800 1.5263 2.6265 O.3 1 UNL11111111 -0.5247 2 C5* -3.8484 0.5109 1.8287 C.3 1 UNL11111111 -0.0432 3 C4* -4.0861 1.0423 0.4130 C.3 1 UNL11111111 0.0426 4 O4* -2.8185 1.4520 -0.1118 O.3 1 UNL11111111 -0.4376 5 C1* -2.4303 0.6697 -1.2097 C.3 1 UNL11111111 0.3251 6 N -1.3067 -0.1967 -0.7547 N.am 1 UNL11111111 -0.4846 7 C -0.0351 0.3552 -0.7579 C.2 1 UNL11111111 0.1443 8 C -1.5563 -1.4131 -0.0760 C.2 1 UNL11111111 0.7149 9 O -2.6685 -1.8873 0.0280 O.2 1 UNL11111111 -0.5317 10 N -0.4483 -2.0744 0.4491 N.am 1 UNL11111111 -0.6209 11 C 0.8875 -1.5881 0.4023 C.2 1 UNL11111111 0.6153 12 O 1.7335 -2.2945 0.8956 O.2 1 UNL11111111 -0.4665 13 C 1.0507 -0.2854 -0.2367 C.2 1 UNL11111111 -0.2640 14 C 2.3658 0.3289 -0.3083 C.2 1 UNL11111111 -0.1296 15 C 3.4962 -0.2782 0.0573 C.2 1 UNL11111111 -0.1318 16 BR 5.1569 0.6242 -0.0871 Br 1 UNL11111111 -0.0694 17 C2* -3.6585 -0.0900 -1.7152 C.3 1 UNL11111111 -0.3861 18 C3* -4.6690 -0.0115 -0.5507 C.3 1 UNL11111111 0.1328 19 O3* -5.8888 0.5353 -1.0016 O.3 1 UNL11111111 -0.5575 20 H5* -2.4656 1.8616 2.1914 H 1 UNL11111111 0.3195 21 H5*1 -3.1876 -0.3747 1.8447 H 1 UNL11111111 0.1372 22 H5*2 -4.7999 0.2735 2.3425 H 1 UNL11111111 0.1553 23 H4* -4.6881 1.9821 0.4182 H 1 UNL11111111 0.1786 24 H1* -2.0201 1.4020 -1.9517 H 1 UNL11111111 0.1501 25 H 0.0554 1.3463 -1.2303 H 1 UNL11111111 0.1797 26 H -0.6167 -2.9739 0.9133 H 1 UNL11111111 0.3505 27 H 2.3703 1.3552 -0.6954 H 1 UNL11111111 0.1640 28 H 3.6102 -1.2815 0.4559 H 1 UNL11111111 0.2033 29 H2*1 -4.0782 0.4075 -2.6118 H 1 UNL11111111 0.1756 30 H2*2 -3.4440 -1.1304 -2.0127 H 1 UNL11111111 0.1853 31 H3* -4.8567 -0.9958 -0.0744 H 1 UNL11111111 0.1507 32 H3* -6.4274 -0.1380 -1.4612 H 1 UNL11111111 0.3228 @BOND 1 29 17 1 2 30 17 1 3 24 5 1 4 17 5 1 5 17 18 1 6 32 19 1 7 25 7 1 8 5 6 1 9 5 4 1 10 19 18 1 11 7 6 1 12 7 13 2 13 6 8 am 14 27 14 1 15 18 31 1 16 18 3 1 17 14 13 1 18 14 15 2 19 13 11 1 20 4 3 1 21 16 15 1 22 8 9 2 23 8 10 am 24 15 28 1 25 11 10 am 26 11 12 2 27 3 23 1 28 3 2 1 29 10 26 1 30 2 21 1 31 2 22 1 32 2 1 1 33 20 1 1