@MOLECULE 4-(benzoylamino)-1-(2,3-dideoxy-3-fluoro-beta-d-arabino-hexopyranosyl)-2(1h)-pyrimidinone 44 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.6384 0.4661 0.8686 C.3 1 UNL1 0.3125 2 N -1.1739 0.5635 0.8086 N.ar 1 UNL1 -0.4930 3 C -3.3804 1.5982 0.1512 C.3 1 UNL1 -0.3966 4 N 0.8887 0.5727 -0.4762 N.ar 1 UNL1 -0.5367 5 C -4.8745 1.2572 0.1578 C.3 1 UNL1 0.0509 6 F -5.5415 2.1830 -0.5756 F 1 UNL1 -0.2121 7 N 2.9356 0.0994 0.5805 N.am 1 UNL1 -0.5797 8 C -5.0997 -0.1248 -0.5019 C.3 1 UNL1 0.0592 9 O -6.4239 -0.5415 -0.2537 O.3 1 UNL1 -0.5530 10 C -4.2336 -1.1841 0.2112 C.3 1 UNL1 0.0463 11 O -2.8762 -0.7751 0.2210 O.3 1 UNL1 -0.4468 12 C -4.1868 -2.5064 -0.5736 C.3 1 UNL1 -0.0126 13 O -3.4140 -3.4471 0.1389 O.3 1 UNL1 -0.5339 14 C -0.4680 0.1742 1.9226 C.ar 1 UNL1 0.1716 15 C 0.8922 0.0421 1.8910 C.ar 1 UNL1 -0.4635 16 C 1.5530 0.2560 0.6232 C.ar 1 UNL1 0.5029 17 C -0.4846 0.7298 -0.4784 C.ar 1 UNL1 0.7115 18 O -1.1390 1.0156 -1.4444 O.2 1 UNL1 -0.4336 19 C 3.7607 0.3891 -0.5420 C.2 1 UNL1 0.5632 20 O 3.3404 0.8529 -1.5616 O.2 1 UNL1 -0.3401 21 C 5.1881 0.0451 -0.2871 C.ar 1 UNL1 -0.1429 22 C 5.9139 0.7046 0.7031 C.ar 1 UNL1 -0.1237 23 C 7.2565 0.3858 0.8941 C.ar 1 UNL1 -0.1544 24 C 7.8637 -0.5853 0.0979 C.ar 1 UNL1 -0.1205 25 C 7.1330 -1.2356 -0.8956 C.ar 1 UNL1 -0.1544 26 C 5.7903 -0.9192 -1.0936 C.ar 1 UNL1 -0.0959 27 H -2.9748 0.3837 1.9371 H 1 UNL1 0.1220 28 H -3.1748 2.5740 0.6279 H 1 UNL1 0.1741 29 H -3.0175 1.7141 -0.9000 H 1 UNL1 0.2227 30 H -5.3050 1.2701 1.1953 H 1 UNL1 0.1461 31 H 3.3784 -0.2770 1.4157 H 1 UNL1 0.3206 32 H -4.9041 -0.1011 -1.5963 H 1 UNL1 0.1519 33 H -7.0611 -0.0231 -0.7878 H 1 UNL1 0.3318 34 H -4.5777 -1.3523 1.2555 H 1 UNL1 0.1468 35 H -5.1902 -2.9687 -0.6389 H 1 UNL1 0.1597 36 H -3.7550 -2.3725 -1.5826 H 1 UNL1 0.1372 37 H -2.5202 -3.0713 0.2976 H 1 UNL1 0.3230 38 H -1.0345 -0.0074 2.8476 H 1 UNL1 0.1652 39 H 1.4569 -0.2195 2.7745 H 1 UNL1 0.1851 40 H 5.4426 1.4732 1.3151 H 1 UNL1 0.1578 41 H 7.8334 0.8979 1.6621 H 1 UNL1 0.1537 42 H 8.9136 -0.8327 0.2502 H 1 UNL1 0.1512 43 H 7.6116 -1.9883 -1.5199 H 1 UNL1 0.1568 44 H 5.2153 -1.4162 -1.8771 H 1 UNL1 0.1696 @BOND 1 44 26 1 2 32 8 1 3 36 12 1 4 20 19 2 5 43 25 1 6 18 17 2 7 26 25 ar 8 26 21 ar 9 29 3 1 10 25 24 ar 11 33 9 1 12 35 12 1 13 6 5 1 14 12 13 1 15 12 10 1 16 19 21 1 17 19 7 am 18 8 9 1 19 8 5 1 20 8 10 1 21 17 4 ar 22 17 2 ar 23 4 16 ar 24 21 22 ar 25 24 42 1 26 24 23 ar 27 13 37 1 28 3 5 1 29 3 28 1 30 3 1 1 31 5 30 1 32 10 11 1 33 10 34 1 34 11 1 1 35 7 16 1 36 7 31 1 37 16 15 ar 38 22 23 ar 39 22 40 1 40 2 1 1 41 2 14 ar 42 1 27 1 43 23 41 1 44 15 14 ar 45 15 39 1 46 14 38 1