@MOLECULE 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-d-mannopyranoside 37 38 0 0 0 SMALL USER_CHARGES @ATOM 1 F 2.5308 1.8198 -0.0186 F 1 UNL111 -0.1349 2 O 1.2423 -0.5769 0.0929 O.3 1 UNL111 -0.4482 3 O 0.2676 1.0693 -1.0713 O.3 1 UNL111 -0.3141 4 O 4.6183 -1.8741 0.2684 O.3 1 UNL111 -0.5321 5 O 5.0013 0.8238 -0.7218 O.3 1 UNL111 -0.5145 6 O 0.8227 -2.8047 1.7066 O.3 1 UNL111 -0.5286 7 O -1.3842 1.8162 2.3457 O.2 1 UNL111 -0.3984 8 O -0.3600 2.8309 0.7411 O.2 1 UNL111 -0.3371 9 O -5.3616 -1.6330 -0.9908 O.2 1 UNL111 -0.3979 10 O -5.5784 -0.2367 0.6354 O.2 1 UNL111 -0.3811 11 N -1.0918 1.9650 1.1699 N.pl3 1 UNL111 0.6382 12 N -4.9285 -0.7688 -0.2467 N.pl3 1 UNL111 0.6349 13 C 3.6796 -0.8282 0.2637 C.3 1 UNL111 0.0818 14 C 3.8244 0.0943 -0.9649 C.3 1 UNL111 0.0455 15 C 2.2917 -1.5105 0.3061 C.3 1 UNL111 0.0263 16 C 2.6007 1.0235 -1.1055 C.3 1 UNL111 -0.0445 17 C 1.3387 0.1368 -1.1146 C.3 1 UNL111 0.2667 18 C 2.0067 -2.0433 1.7209 C.3 1 UNL111 -0.0115 19 C -0.9542 0.5145 -0.8479 C.ar 1 UNL111 0.3252 20 C -1.6932 1.0233 0.2325 C.ar 1 UNL111 -0.1689 21 C -1.5034 -0.4508 -1.7011 C.ar 1 UNL111 -0.2803 22 C -3.0009 0.5911 0.4502 C.ar 1 UNL111 0.0074 23 C -2.8094 -0.8688 -1.4995 C.ar 1 UNL111 -0.0025 24 C -3.5509 -0.3382 -0.4336 C.ar 1 UNL111 -0.1398 25 H 3.9080 -0.2641 1.2029 H 1 UNL111 0.1867 26 H 3.9857 -0.4891 -1.9008 H 1 UNL111 0.1295 27 H 2.2063 -2.3209 -0.4488 H 1 UNL111 0.1430 28 H 2.6580 1.6657 -2.0225 H 1 UNL111 0.1605 29 H 1.2485 -0.5387 -1.9869 H 1 UNL111 0.1232 30 H 1.9232 -1.2255 2.4604 H 1 UNL111 0.1406 31 H 2.7890 -2.7659 2.0329 H 1 UNL111 0.1693 32 H 5.0076 -2.0322 -0.6148 H 1 UNL111 0.3219 33 H 4.9926 1.6978 -1.1655 H 1 UNL111 0.3236 34 H 0.0530 -2.2147 1.5593 H 1 UNL111 0.3187 35 H -0.9147 -0.8549 -2.5225 H 1 UNL111 0.1805 36 H -3.5807 0.9703 1.3092 H 1 UNL111 0.2186 37 H -3.2685 -1.6083 -2.1697 H 1 UNL111 0.1925 @BOND 1 35 21 1 2 37 23 1 3 28 16 1 4 29 17 1 5 26 14 1 6 21 23 ar 7 21 19 ar 8 23 24 ar 9 33 5 1 10 17 16 1 11 17 3 1 12 17 2 1 13 16 14 1 14 16 1 1 15 3 19 1 16 9 12 2 17 14 5 1 18 14 13 1 19 19 20 ar 20 32 4 1 21 27 15 1 22 24 12 1 23 24 22 ar 24 12 10 2 25 2 15 1 26 20 22 ar 27 20 11 1 28 13 4 1 29 13 15 1 30 13 25 1 31 15 18 1 32 22 36 1 33 8 11 2 34 11 7 2 35 34 6 1 36 6 18 1 37 18 31 1 38 18 30 1