@MOLECULE 1-[3-(4-carboxy-1-piperidinyl)-3-deoxy-beta-d-arabinofuranosyl]-2,4(1h,3h)-pyrimidinedione 46 48 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.7815 -1.1729 2.3108 O.2 1 UNL1 -0.5058 2 C -3.9428 -0.8356 1.1580 C.ar 1 UNL1 0.7030 3 N -5.1912 -0.8302 0.5467 N.ar 1 UNL1 -0.6248 4 C -5.4193 -0.4559 -0.8125 C.ar 1 UNL1 0.6219 5 O -6.5611 -0.4864 -1.2014 O.2 1 UNL1 -0.4624 6 C -4.2292 -0.0888 -1.5557 C.ar 1 UNL1 -0.4377 7 C -3.0065 -0.0803 -0.9746 C.ar 1 UNL1 0.1857 8 N -2.8322 -0.4715 0.3464 N.ar 1 UNL1 -0.4846 9 C -1.5503 -0.2402 1.0246 C.3 1 UNL1 0.2388 10 O -1.3258 1.1478 1.0329 O.3 1 UNL1 -0.4284 11 C -0.1251 1.5143 0.3554 C.3 1 UNL1 0.0348 12 C -0.5231 2.6225 -0.6282 C.3 1 UNL1 -0.0412 13 O -0.9587 3.7530 0.0902 O.3 1 UNL1 -0.5201 14 C -0.3520 -0.9081 0.2905 C.3 1 UNL1 0.0728 15 O -0.7521 -1.6972 -0.7999 O.3 1 UNL1 -0.5548 16 C 0.4609 0.2624 -0.3339 C.3 1 UNL1 -0.0422 17 N 1.8948 0.0737 -0.0170 N.3 1 UNL1 -0.4284 18 C 2.7127 1.2659 -0.3636 C.3 1 UNL1 -0.1134 19 C 2.4313 -1.1178 -0.7316 C.3 1 UNL1 -0.1107 20 C 3.8448 -1.4106 -0.2034 C.3 1 UNL1 -0.2713 21 C 4.7556 -0.2062 -0.4826 C.3 1 UNL1 -0.1760 22 C 4.1472 1.0510 0.1502 C.3 1 UNL1 -0.2715 23 C 6.1161 -0.4587 0.1053 C.2 1 UNL1 0.6252 24 O 6.7079 -1.5122 -0.5189 O.3 1 UNL1 -0.5676 25 O 6.6846 0.1285 0.9859 O.2 1 UNL1 -0.4984 26 H -5.9964 -1.1008 1.1194 H 1 UNL1 0.3483 27 H -4.3824 0.1782 -2.5996 H 1 UNL1 0.2053 28 H -2.0919 0.2047 -1.5152 H 1 UNL1 0.1798 29 H -1.6309 -0.5344 2.1071 H 1 UNL1 0.1945 30 H 0.5290 1.9049 1.1719 H 1 UNL1 0.1758 31 H -1.3234 2.3029 -1.3192 H 1 UNL1 0.1269 32 H 0.3420 2.9969 -1.2060 H 1 UNL1 0.1458 33 H -1.6951 3.4937 0.6918 H 1 UNL1 0.3280 34 H 0.2510 -1.5245 0.9926 H 1 UNL1 0.1620 35 H -1.3720 -2.4068 -0.5194 H 1 UNL1 0.3372 36 H 0.2735 0.2858 -1.4389 H 1 UNL1 0.1466 37 H 2.7198 1.4770 -1.4538 H 1 UNL1 0.1169 38 H 2.2880 2.1618 0.1408 H 1 UNL1 0.1463 39 H 1.7729 -1.9927 -0.5352 H 1 UNL1 0.1516 40 H 2.4483 -0.9819 -1.8342 H 1 UNL1 0.1211 41 H 4.2483 -2.3263 -0.6757 H 1 UNL1 0.1552 42 H 3.7982 -1.6126 0.8865 H 1 UNL1 0.1629 43 H 4.8622 -0.0678 -1.5891 H 1 UNL1 0.1714 44 H 4.7668 1.9414 -0.0623 H 1 UNL1 0.1516 45 H 4.1356 0.9495 1.2570 H 1 UNL1 0.1733 46 H 7.6091 -1.7244 -0.1715 H 1 UNL1 0.3568 @BOND 1 27 6 1 2 40 19 1 3 43 21 1 4 6 7 ar 5 6 4 ar 6 28 7 1 7 37 18 1 8 36 16 1 9 31 12 1 10 32 12 1 11 5 4 2 12 7 8 ar 13 4 3 ar 14 15 35 1 15 15 14 1 16 19 39 1 17 19 20 1 18 19 17 1 19 41 20 1 20 12 13 1 21 12 11 1 22 24 46 1 23 24 23 1 24 21 20 1 25 21 23 1 26 21 22 1 27 18 17 1 28 18 38 1 29 18 22 1 30 16 17 1 31 16 14 1 32 16 11 1 33 20 42 1 34 44 22 1 35 13 33 1 36 23 25 2 37 22 45 1 38 14 34 1 39 14 9 1 40 8 9 1 41 8 2 ar 42 11 10 1 43 11 30 1 44 3 26 1 45 3 2 ar 46 9 10 1 47 9 29 1 48 2 1 2