@MOLECULE FDBD02020 23 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.1194 1.3718 -0.0078 C.3 1 UNK 0.0940 2 N -0.4488 0.0414 0.5098 N.pl3 1 UNK -0.1150 3 C1 0.3295 -0.5277 1.3869 C.cat 1 UNK 0.4080 4 N1 -0.0430 -1.7171 1.9672 N.pl3 1 UNK -0.2695 5 C2 -1.3002 -2.3602 1.5775 C.3 1 UNK 0.0976 6 C3 -1.4718 -3.6399 2.3546 C.ar 1 UNK 0.0440 7 C4 -2.0842 -3.7660 3.5349 C.ar 1 UNK 0.0426 8 N2 -2.1041 -4.9949 4.0125 N.ar 1 UNK -0.2357 9 C5 -1.5414 -5.9121 3.2986 C.ar 1 UNK 0.1674 10 Cl -1.4498 -7.5911 3.7301 Cl 1 UNK -0.0543 11 S -0.9067 -5.2346 1.8628 S.2 1 UNK -0.0576 12 N3 1.5230 0.0614 1.7317 N.pl3 1 UNK -0.1049 13 N4 2.4232 -0.6153 2.5651 N.pl3 1 UNK 0.1832 14 O 2.5066 -1.8293 2.5131 O.2 1 UNK -0.0942 15 O1 3.1223 0.0105 3.3417 O.2 1 UNK -0.0942 16 H -0.8657 1.6754 -0.7119 H 1 UNK 0.0656 17 H1 0.8349 1.3404 -0.4908 H 1 UNK 0.0656 18 H2 -0.0868 2.0713 0.8013 H 1 UNK 0.0656 19 H3 0.5352 -2.1366 2.6447 H 1 UNK 0.2583 20 H4 -1.2793 -2.5789 0.5303 H 1 UNK 0.0712 21 H5 -2.1175 -1.7026 1.7883 H 1 UNK 0.0712 22 H6 -2.5072 -2.9669 4.0324 H 1 UNK 0.0839 23 H7 1.7450 0.9587 1.3930 H 1 UNK 0.2968 @BOND 1 1 2 1 2 2 3 2 3 3 4 1 4 3 12 1 5 4 5 1 6 5 6 1 7 6 11 ar 8 6 7 ar 9 7 8 ar 10 8 9 ar 11 9 10 1 12 9 11 ar 13 12 13 1 14 13 14 2 15 13 15 2 16 1 16 1 17 1 17 1 18 1 18 1 19 4 19 1 20 5 20 1 21 5 21 1 22 7 22 1 23 12 23 1