@MOLECULE 9-(6-deoxy-6,6-difluoro-5-thio-beta-d-allofuranosyl)-9h-purin-6-amine 35 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 3.0698 -2.2622 -0.8434 S.3 1 UNL1 -0.1326 2 F 0.8145 -2.9202 1.1589 F 1 UNL1 -0.2047 3 F 0.0869 -1.7176 -0.3914 F 1 UNL1 -0.2077 4 O 1.4570 0.4219 -1.1542 O.3 1 UNL1 -0.4307 5 O 3.0735 1.9074 1.4645 O.3 1 UNL1 -0.5452 6 O 1.6866 3.4801 -0.0518 O.3 1 UNL1 -0.5212 7 N -0.7493 1.1059 -1.0801 N.ar 1 UNL1 -0.3747 8 N -2.6345 0.2065 -2.0033 N.ar 1 UNL1 -0.3258 9 N -1.3204 0.7401 1.3196 N.ar 1 UNL1 -0.5639 10 N -3.4923 -0.2835 1.6243 N.ar 1 UNL1 -0.5660 11 N -4.8852 -0.9112 -0.1457 N.pl3 1 UNL1 -0.5419 12 C 2.3138 0.2656 -0.0253 C.3 1 UNL1 0.0819 13 C 1.8766 1.2975 1.0399 C.3 1 UNL1 0.0453 14 C 0.9948 2.3099 0.2674 C.3 1 UNL1 0.0496 15 C 0.6275 1.5642 -1.0453 C.3 1 UNL1 0.2465 16 C 2.2598 -1.1925 0.4158 C.3 1 UNL1 -0.2783 17 C 0.8264 -1.6453 0.7287 C.3 1 UNL1 0.2675 18 C -1.5391 0.6731 -0.0202 C.ar 1 UNL1 0.3057 19 C -1.4579 0.7570 -2.2700 C.ar 1 UNL1 0.1524 20 C -2.7295 0.1335 -0.6134 C.ar 1 UNL1 -0.1951 21 C -3.7186 -0.3632 0.2743 C.ar 1 UNL1 0.4715 22 C -2.3360 0.2532 2.0702 C.ar 1 UNL1 0.3075 23 H 2.3307 -1.9470 -1.9182 H 1 UNL1 0.1763 24 H 2.8777 2.6643 2.0624 H 1 UNL1 0.3353 25 H 2.6344 3.2916 -0.2584 H 1 UNL1 0.3319 26 H -5.5515 -1.2648 0.5139 H 1 UNL1 0.3240 27 H -5.0699 -1.0059 -1.1273 H 1 UNL1 0.3304 28 H 3.3390 0.5363 -0.3962 H 1 UNL1 0.1750 29 H 1.3536 0.8650 1.9161 H 1 UNL1 0.1594 30 H 0.1122 2.6733 0.8408 H 1 UNL1 0.1948 31 H 0.8396 2.1722 -1.9638 H 1 UNL1 0.1721 32 H 2.8876 -1.3081 1.3414 H 1 UNL1 0.1982 33 H 0.3135 -0.9830 1.4934 H 1 UNL1 0.1621 34 H -1.0501 0.9531 -3.2505 H 1 UNL1 0.2012 35 H -2.2044 0.2921 3.1663 H 1 UNL1 0.1992 @BOND 1 34 19 1 2 19 8 ar 3 19 7 ar 4 8 20 ar 5 31 15 1 6 23 1 1 7 4 15 1 8 4 12 1 9 27 11 1 10 7 15 1 11 7 18 ar 12 15 14 1 13 1 16 1 14 20 18 ar 15 20 21 ar 16 28 12 1 17 3 17 1 18 25 6 1 19 11 21 1 20 11 26 1 21 6 14 1 22 12 16 1 23 12 13 1 24 18 9 ar 25 14 30 1 26 14 13 1 27 21 10 ar 28 16 17 1 29 16 32 1 30 17 2 1 31 17 33 1 32 13 5 1 33 13 29 1 34 9 22 ar 35 5 24 1 36 10 22 ar 37 22 35 1