@MOLECULE n-[(7-fluoro-9-oxo-9h-xanthen-2-yl)sulfonyl]-n-methylglycine 37 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -2.7688 0.6501 1.1122 S.O2 1 UNL1 2.3890 2 F 7.0235 0.9428 -0.9063 F 1 UNL1 -0.1521 3 O 2.5186 -1.8169 0.3263 O.2 1 UNL1 -0.2634 4 O -3.5601 -0.2483 1.9172 O.2 1 UNL1 -0.8966 5 O -2.5988 2.0485 1.4040 O.2 1 UNL1 -0.8674 6 O 2.1875 2.2504 -0.1882 O.2 1 UNL1 -0.4203 7 O -6.0059 -1.6937 -1.6153 O.3 1 UNL1 -0.6083 8 O -6.1963 0.4892 -1.1984 O.2 1 UNL1 -0.4576 9 N -3.4005 0.5277 -0.5049 N.3 1 UNL1 -0.7656 10 C -1.1622 -0.0583 0.9261 C.ar 1 UNL1 -0.4827 11 C 1.1645 0.2030 0.3728 C.ar 1 UNL1 -0.3083 12 C -0.0966 0.7633 0.5947 C.ar 1 UNL1 0.0544 13 C 1.3312 -1.1762 0.5103 C.ar 1 UNL1 0.3024 14 C -0.9776 -1.4395 1.0702 C.ar 1 UNL1 0.0176 15 C 2.2923 1.0605 -0.0052 C.ar 1 UNL1 0.4824 16 C 3.5644 0.3364 -0.1534 C.ar 1 UNL1 -0.2346 17 C 0.2650 -2.0174 0.8537 C.ar 1 UNL1 -0.2837 18 C 3.6142 -1.0470 0.0199 C.ar 1 UNL1 0.2149 19 C -4.0250 -0.7067 -0.9333 C.3 1 UNL1 -0.1136 20 C -2.7998 1.3375 -1.5650 C.3 1 UNL1 -0.2190 21 C 4.7349 1.0290 -0.4694 C.ar 1 UNL1 -0.0900 22 C 4.8009 -1.7776 -0.1107 C.ar 1 UNL1 -0.1960 23 C 5.9071 0.2970 -0.6057 C.ar 1 UNL1 0.1256 24 C 5.9625 -1.0925 -0.4349 C.ar 1 UNL1 -0.1221 25 C -5.4980 -0.4798 -1.2363 C.2 1 UNL1 0.6242 26 H -0.2033 1.8584 0.4979 H 1 UNL1 0.1989 27 H -1.8184 -2.0857 1.3623 H 1 UNL1 0.1756 28 H 0.4234 -3.0890 0.9505 H 1 UNL1 0.1821 29 H -3.9755 -1.4988 -0.1366 H 1 UNL1 0.1868 30 H -3.5343 -1.1486 -1.8355 H 1 UNL1 0.1614 31 H -2.5381 2.3418 -1.1744 H 1 UNL1 0.1693 32 H -3.5390 1.5097 -2.3694 H 1 UNL1 0.1528 33 H -1.8993 0.8766 -2.0074 H 1 UNL1 0.1192 34 H 4.7069 2.1153 -0.6079 H 1 UNL1 0.2009 35 H 4.7945 -2.8568 0.0357 H 1 UNL1 0.1848 36 H 6.9071 -1.6292 -0.5428 H 1 UNL1 0.1802 37 H -6.9714 -1.6949 -1.8001 H 1 UNL1 0.3589 @BOND 1 32 20 1 2 33 20 1 3 30 19 1 4 37 7 1 5 7 25 1 6 20 31 1 7 20 9 1 8 25 8 2 9 25 19 1 10 19 9 1 11 19 29 1 12 2 23 1 13 34 21 1 14 23 21 ar 15 23 24 ar 16 36 24 1 17 9 1 1 18 21 16 ar 19 24 22 ar 20 6 15 2 21 16 15 ar 22 16 18 ar 23 22 18 ar 24 22 35 1 25 15 11 ar 26 18 3 ar 27 3 13 ar 28 11 13 ar 29 11 12 ar 30 26 12 1 31 13 17 ar 32 12 10 ar 33 17 28 1 34 17 14 ar 35 10 14 ar 36 10 1 1 37 14 27 1 38 1 5 2 39 1 4 2