@MOLECULE FDBD02022 27 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.1020 1.3024 0.2169 C.ar 1 UNK -0.0514 2 C1 1.3494 1.8969 0.3262 C.ar 1 UNK -0.0245 3 C2 2.4791 1.0983 0.3231 C.ar 1 UNK 0.1292 4 Cl 4.0476 1.8296 0.4600 Cl 1 UNK -0.0620 5 N 2.3776 -0.2133 0.2177 N.ar 1 UNK -0.2432 6 C3 1.2072 -0.8117 0.1120 C.ar 1 UNK 0.0352 7 C4 0.0359 -0.0784 0.1080 C.ar 1 UNK 0.0024 8 C5 -1.2971 -0.7710 -0.0123 C.3 1 UNK 0.0874 9 N1 -1.7990 -1.0996 1.3243 N.pl3 1 UNK -0.2161 10 C6 -1.5304 -2.3489 2.0519 C.3 1 UNK 0.0896 11 C7 -2.2855 -2.1711 3.3834 C.3 1 UNK 0.0869 12 N2 -2.9000 -0.8404 3.2657 N.pl3 1 UNK -0.2335 13 C8 -2.5714 -0.3069 2.0806 C.cat 1 UNK 0.3998 14 N3 -2.9866 0.9109 1.6825 N.2 1 UNK 0.0935 15 N4 -3.8142 1.5803 2.4112 N.pl3 1 UNK 0.2215 16 O -3.3959 2.3592 3.2490 O.2 1 UNK -0.0910 17 O1 -5.0140 1.4335 2.2615 O.2 1 UNK -0.0910 18 H -0.7573 1.8740 0.2166 H 1 UNK 0.0623 19 H1 1.4343 2.9221 0.4088 H 1 UNK 0.0648 20 H2 1.1655 -1.8397 0.0313 H 1 UNK 0.0834 21 H3 -1.1819 -1.6700 -0.5810 H 1 UNK 0.0686 22 H4 -1.9922 -0.1238 -0.5052 H 1 UNK 0.0686 23 H5 -0.4813 -2.4722 2.2226 H 1 UNK 0.0664 24 H6 -1.8449 -3.2173 1.5116 H 1 UNK 0.0664 25 H7 -1.6096 -2.2065 4.2121 H 1 UNK 0.0662 26 H8 -3.0047 -2.9442 3.5567 H 1 UNK 0.0662 27 H9 -3.4632 -0.4097 3.9487 H 1 UNK 0.2446 @BOND 1 1 7 ar 2 1 2 ar 3 2 3 ar 4 3 4 1 5 3 5 ar 6 5 6 ar 7 6 7 ar 8 7 8 1 9 8 9 1 10 9 13 1 11 9 10 1 12 10 11 1 13 11 12 1 14 12 13 1 15 13 14 2 16 14 15 1 17 15 16 2 18 15 17 2 19 1 18 1 20 2 19 1 21 6 20 1 22 8 21 1 23 8 22 1 24 10 23 1 25 10 24 1 26 11 25 1 27 11 26 1 28 12 27 1