@MOLECULE 5-[(z)-2-bromovinyl]-2'-deoxyuridine 32 33 0 0 0 SMALL USER_CHARGES @ATOM 1 BR 2.1969 1.8721 0.3232 Br 1 UNL11111111 -0.0614 2 O4* -1.9979 0.3806 -1.3852 O.3 1 UNL11111111 -0.4351 3 O -1.8435 -3.1407 0.6702 O.2 1 UNL11111111 -0.5062 4 O3* -4.7272 1.1433 0.0508 O.3 1 UNL11111111 -0.5592 5 O 2.6649 -3.2462 0.2192 O.2 1 UNL11111111 -0.4623 6 O5* -0.8563 1.9923 0.9941 O.3 1 UNL11111111 -0.5289 7 N -0.8408 -1.3408 -0.3267 N.am 1 UNL11111111 -0.5153 8 N 0.4373 -3.1771 0.5100 N.am 1 UNL11111111 -0.6174 9 C1* -2.1984 -0.8159 -0.6830 C.3 1 UNL11111111 0.3400 10 C -0.8150 -2.6080 0.3110 C.2 1 UNL11111111 0.6984 11 C2* -3.0455 -0.5241 0.5639 C.3 1 UNL11111111 -0.3890 12 C3* -3.3911 0.9707 0.4746 C.3 1 UNL11111111 0.1286 13 C 1.6599 -2.5949 0.0699 C.2 1 UNL11111111 0.6150 14 C4* -2.5430 1.5077 -0.6960 C.3 1 UNL11111111 0.0401 15 C 1.5415 -1.2656 -0.5234 C.2 1 UNL11111111 -0.3071 16 C5* -1.3858 2.4029 -0.2479 C.3 1 UNL11111111 -0.0516 17 C 0.3155 -0.7088 -0.7357 C.2 1 UNL11111111 0.1685 18 C 2.8060 -0.6488 -0.8875 C.2 1 UNL11111111 -0.0799 19 C 3.2143 0.5948 -0.6338 C.2 1 UNL11111111 -0.1842 20 H 0.1884 0.2578 -1.2533 H 1 UNL11111111 0.2005 21 H 3.4965 -1.3415 -1.4029 H 1 UNL11111111 0.1852 22 H 4.1799 0.9962 -0.9183 H 1 UNL11111111 0.1748 23 H1* -2.6650 -1.5265 -1.4128 H 1 UNL11111111 0.1656 24 H2*1 -2.5167 -0.7744 1.5040 H 1 UNL11111111 0.1819 25 H2*2 -3.9597 -1.1504 0.5769 H 1 UNL11111111 0.1902 26 H 0.4731 -4.0928 0.9678 H 1 UNL11111111 0.3495 27 H3* -3.2259 1.5185 1.4255 H 1 UNL11111111 0.1484 28 H4* -3.1786 1.9998 -1.4693 H 1 UNL11111111 0.1754 29 H5*1 -0.5844 2.4250 -1.0106 H 1 UNL11111111 0.1391 30 H5*2 -1.7179 3.4400 -0.0461 H 1 UNL11111111 0.1571 31 H3* -5.3496 1.1161 0.7999 H 1 UNL11111111 0.3234 32 H5* -0.6099 1.0421 0.9583 H 1 UNL11111111 0.3161 @BOND 1 28 14 1 2 23 9 1 3 21 18 1 4 2 14 1 5 2 9 1 6 20 17 1 7 29 16 1 8 22 19 1 9 18 19 2 10 18 15 1 11 17 15 2 12 17 7 1 13 14 16 1 14 14 12 1 15 9 7 1 16 9 11 1 17 19 1 1 18 15 13 1 19 7 10 am 20 16 30 1 21 16 6 1 22 4 12 1 23 4 31 1 24 13 5 2 25 13 8 am 26 10 8 am 27 10 3 2 28 12 11 1 29 12 27 1 30 8 26 1 31 11 25 1 32 11 24 1 33 32 6 1