@MOLECULE 5-(5-chloro-2-thienyl)-1-(2-deoxypentofuranosyl)-2,4(1h,3h)-pyrimidinedione 35 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -5.4340 -1.3566 -0.4407 Cl 1 UNL1 -0.0196 2 S -2.7332 -0.1138 -0.9087 S.2 1 UNL1 0.2467 3 O4* 2.6084 -1.1408 1.1635 O.3 1 UNL1 -0.3766 4 O3* 5.1083 -2.1797 -0.4884 O.3 1 UNL1 -0.5470 5 O5* 0.6242 -2.7700 0.2823 O.3 1 UNL1 -0.5272 6 O 3.1454 2.7182 -0.1311 O.2 1 UNL1 -0.5227 7 O -1.3289 3.1878 -0.6614 O.2 1 UNL1 -0.4491 8 N 1.8312 0.9367 0.4495 N.ar 1 UNL1 -0.5074 9 N 0.8879 2.9601 -0.3981 N.ar 1 UNL1 -0.6269 10 C1* 3.0460 0.1462 0.8299 C.3 1 UNL1 0.3230 11 C3* 3.9435 -1.4455 -0.7894 C.3 1 UNL1 0.1096 12 C2* 4.0518 0.0170 -0.3263 C.3 1 UNL1 -0.3941 13 C4* 2.8480 -2.0664 0.1055 C.3 1 UNL1 0.0691 14 C5* 1.5576 -2.3211 -0.6839 C.3 1 UNL1 -0.0590 15 C 0.5700 0.4219 0.6433 C.ar 1 UNL1 0.1878 16 C 2.0278 2.2543 -0.0345 C.ar 1 UNL1 0.7020 17 C -0.5461 1.1190 0.2763 C.ar 1 UNL1 -0.3273 18 C -0.4469 2.4568 -0.2870 C.ar 1 UNL1 0.6192 19 C -1.8559 0.5532 0.4593 C.ar 1 UNL1 -0.0875 20 C -2.5706 0.4158 1.6150 C.ar 1 UNL1 -0.1545 21 C -3.8370 -0.2340 1.4303 C.ar 1 UNL1 -0.1772 22 C -4.0567 -0.5800 0.1316 C.ar 1 UNL1 -0.1529 23 H1* 3.4626 0.5767 1.7738 H 1 UNL1 0.1668 24 H3* 3.7446 -1.5432 -1.8750 H 1 UNL1 0.1274 25 H2*1 5.0737 0.2504 0.0301 H 1 UNL1 0.1826 26 H2*2 3.8655 0.7323 -1.1469 H 1 UNL1 0.1870 27 H4* 3.1913 -2.9794 0.6475 H 1 UNL1 0.1871 28 H5*1 1.7116 -3.1050 -1.4479 H 1 UNL1 0.1264 29 H5*2 1.1655 -1.4054 -1.1625 H 1 UNL1 0.1309 30 H 0.5019 -0.5880 1.1038 H 1 UNL1 0.2256 31 H3* 5.8917 -1.8026 -0.9362 H 1 UNL1 0.3223 32 H 1.0161 3.9120 -0.7530 H 1 UNL1 0.3473 33 H5* -0.1995 -3.0694 -0.1568 H 1 UNL1 0.3178 34 H -2.2401 0.7590 2.5854 H 1 UNL1 0.1744 35 H -4.5164 -0.4104 2.2520 H 1 UNL1 0.1760 @BOND 1 24 11 1 2 28 14 1 3 29 14 1 4 26 12 1 5 31 4 1 6 2 22 ar 7 2 19 ar 8 11 4 1 9 11 12 1 10 11 13 1 11 32 9 1 12 14 13 1 13 14 5 1 14 7 18 2 15 1 22 1 16 9 18 ar 17 9 16 ar 18 12 25 1 19 12 10 1 20 18 17 ar 21 33 5 1 22 6 16 2 23 16 8 ar 24 13 27 1 25 13 3 1 26 22 21 ar 27 17 19 1 28 17 15 ar 29 8 15 ar 30 8 10 1 31 19 20 ar 32 15 30 1 33 10 3 1 34 10 23 1 35 21 20 ar 36 21 35 1 37 20 34 1