@MOLECULE fludarabine phosphate 37 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -3.3607 1.4132 -0.2752 P.3 1 UNL1 0.3292 2 F 0.3823 2.9837 0.6636 F 1 UNL1 -0.0939 3 O -0.2520 -1.6514 -1.1524 O.3 1 UNL1 -0.3560 4 O 0.6247 -1.9978 1.8019 O.3 1 UNL1 -0.5067 5 O -1.3183 -4.3271 -0.0314 O.3 1 UNL1 -0.5666 6 O -2.5923 0.0792 -0.6614 O.3 1 UNL1 -0.1507 7 O -2.4646 2.0584 0.8814 O.3 1 UNL1 -0.3493 8 O -4.5841 0.8298 0.5827 O.3 1 UNL1 -0.3868 9 O -3.7086 2.2251 -1.4327 O.2 1 UNL1 -0.3050 10 N 1.9540 -1.3376 -0.4236 N.ar 1 UNL1 -0.3462 11 N 4.1297 -0.6454 -0.5419 N.ar 1 UNL1 -0.3162 12 N 0.9282 0.8559 0.1750 N.ar 1 UNL1 -0.4844 13 N 2.5734 2.6707 0.2758 N.ar 1 UNL1 -0.5830 14 N 4.8528 2.3435 -0.0948 N.pl3 1 UNL1 -0.5442 15 C 0.3769 -2.9283 0.7840 C.3 1 UNL1 0.0527 16 C -1.1546 -3.0562 0.5575 C.3 1 UNL1 0.0612 17 C 0.8552 -2.2859 -0.5590 C.3 1 UNL1 0.2662 18 C -1.4547 -1.8982 -0.4105 C.3 1 UNL1 0.0375 19 C -1.8579 -0.6398 0.3693 C.3 1 UNL1 -0.0839 20 C 1.9481 0.0145 -0.1325 C.ar 1 UNL1 0.3472 21 C 3.3161 -1.6866 -0.6649 C.ar 1 UNL1 0.1067 22 C 3.3250 0.4434 -0.2233 C.ar 1 UNL1 -0.2411 23 C 3.6033 1.8205 -0.0167 C.ar 1 UNL1 0.4808 24 C 1.3299 2.1277 0.3535 C.ar 1 UNL1 0.5387 25 H 0.8644 -3.8983 0.9888 H 1 UNL1 0.1449 26 H -1.7428 -3.0373 1.4937 H 1 UNL1 0.1472 27 H 1.1820 -3.0795 -1.2881 H 1 UNL1 0.1514 28 H -2.1907 -2.1428 -1.2100 H 1 UNL1 0.1658 29 H -0.9524 -0.0698 0.6897 H 1 UNL1 0.2107 30 H -2.4642 -0.8809 1.2609 H 1 UNL1 0.1375 31 H 0.6390 -2.4319 2.6821 H 1 UNL1 0.3198 32 H -2.1308 -4.3821 -0.5699 H 1 UNL1 0.3318 33 H 3.6074 -2.6943 -0.9169 H 1 UNL1 0.1932 34 H 5.6297 1.7473 -0.3090 H 1 UNL1 0.3285 35 H 5.0101 3.3223 0.0535 H 1 UNL1 0.3256 36 H -2.2869 3.0374 0.6371 H 1 UNL1 0.3213 37 H -5.4081 1.4038 0.4111 H 1 UNL1 0.3163 @BOND 1 9 1 2 2 27 17 1 3 28 18 1 4 3 17 1 5 3 18 1 6 33 21 1 7 21 11 ar 8 21 10 ar 9 6 1 1 10 6 19 1 11 32 5 1 12 17 10 1 13 17 15 1 14 11 22 ar 15 10 20 ar 16 18 19 1 17 18 16 1 18 34 14 1 19 1 8 1 20 1 7 1 21 22 20 ar 22 22 23 ar 23 20 12 ar 24 14 23 1 25 14 35 1 26 5 16 1 27 23 13 ar 28 12 24 ar 29 13 24 ar 30 24 2 1 31 19 29 1 32 19 30 1 33 37 8 1 34 16 15 1 35 16 26 1 36 36 7 1 37 15 25 1 38 15 4 1 39 4 31 1