@MOLECULE elvucitabine 26 27 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F -1.8243 -2.4432 -0.6735 F 1 UNL1 -0.1284 2 O 1.8875 0.6548 0.7132 O.3 1 UNL1 -0.3866 3 O 3.3416 -1.7229 1.5077 O.3 1 UNL1 -0.5086 4 O -1.2505 2.6808 0.6652 O.2 1 UNL1 -0.4604 5 N -0.3153 0.7398 -0.0714 N.ar 1 UNL1 -0.4921 6 N -2.6751 0.8817 0.4666 N.ar 1 UNL1 -0.6097 7 N -4.0744 -0.9306 0.2111 N.pl3 1 UNL1 -0.5630 8 C 1.0083 1.3712 -0.1519 C.3 1 UNL1 0.2749 9 C 2.9841 0.1162 -0.0442 C.3 1 UNL1 0.0406 10 C 1.6005 1.2372 -1.5432 C.2 1 UNL1 -0.2114 11 C 2.7206 0.5110 -1.4769 C.2 1 UNL1 -0.1858 12 C 3.0288 -1.3997 0.1750 C.3 1 UNL1 -0.0362 13 C -0.4455 -0.5835 -0.3886 C.ar 1 UNL1 0.1368 14 C -1.4647 1.5256 0.3962 C.ar 1 UNL1 0.7145 15 C -1.6822 -1.1733 -0.3301 C.ar 1 UNL1 -0.1707 16 C -2.8200 -0.4058 0.1189 C.ar 1 UNL1 0.4754 17 H 0.9626 2.4170 0.2519 H 1 UNL1 0.1960 18 H 3.8829 0.6212 0.3775 H 1 UNL1 0.1525 19 H 1.1224 1.6923 -2.3916 H 1 UNL1 0.1780 20 H 3.3862 0.2294 -2.2714 H 1 UNL1 0.1666 21 H 3.7569 -1.8879 -0.4979 H 1 UNL1 0.1232 22 H 2.0318 -1.8669 0.0503 H 1 UNL1 0.1548 23 H 0.4548 -1.1380 -0.6940 H 1 UNL1 0.1855 24 H 4.1602 -1.2748 1.8000 H 1 UNL1 0.3075 25 H -4.8292 -0.3538 0.5380 H 1 UNL1 0.3277 26 H -4.2687 -1.8752 -0.0405 H 1 UNL1 0.3187 @BOND 1 19 10 1 2 20 11 1 3 10 11 2 4 10 8 1 5 11 9 1 6 23 13 1 7 1 15 1 8 21 12 1 9 13 15 ar 10 13 5 ar 11 15 16 ar 12 8 5 1 13 8 17 1 14 8 2 1 15 5 14 ar 16 9 12 1 17 9 18 1 18 9 2 1 19 26 7 1 20 22 12 1 21 16 7 1 22 16 6 ar 23 12 3 1 24 7 25 1 25 14 6 ar 26 14 4 2 27 3 24 1