@MOLECULE FDBD00711 23 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.0958 3.2293 -0.1723 C.ar 1 UNK 0.0958 2 N 0.1647 2.8017 0.0409 N.ar 1 UNK -0.3277 3 N1 -1.8681 2.1246 -0.2081 N.ar 1 UNK -0.2290 4 C1 -1.1253 1.0217 -0.0032 C.ar 1 UNK 0.1706 5 C2 -1.7079 -0.3709 0.0783 C.2 1 UNK 0.2636 6 C3 0.1933 1.4595 0.1175 C.ar 1 UNK 0.1864 7 N2 1.2890 0.6917 0.2753 N.2 1 UNK -0.1132 8 N3 1.3317 -0.5232 -0.3031 N.2 1 UNK -0.0775 9 C4 3.4889 -0.9453 0.7431 C.3 1 UNK 0.0195 10 N4 2.3796 -1.3511 -0.1000 N.pl3 1 UNK -0.2434 11 C5 2.3938 -2.6575 -0.7282 C.3 1 UNK 0.0195 12 N5 -0.9373 -1.4106 0.4433 N.am 1 UNK -0.3240 13 O -2.8899 -0.5195 -0.1847 O.2 1 UNK -0.2686 14 H -1.4074 4.2066 -0.2855 H 1 UNK 0.1027 15 H1 0.9510 3.3877 0.1280 H 1 UNK 0.1683 16 H2 3.3094 0.0403 1.1188 H 1 UNK 0.0444 17 H3 4.3925 -0.9495 0.1701 H 1 UNK 0.0444 18 H4 3.5827 -1.6276 1.5620 H 1 UNK 0.0444 19 H5 1.5034 -2.7842 -1.3079 H 1 UNK 0.0444 20 H6 2.4393 -3.4153 0.0258 H 1 UNK 0.0444 21 H7 3.2491 -2.7372 -1.3661 H 1 UNK 0.0444 22 H8 0.0145 -1.2688 0.6513 H 1 UNK 0.1453 23 H9 -1.3249 -2.3137 0.5025 H 1 UNK 0.1453 @BOND 1 1 2 ar 2 1 3 ar 3 2 6 ar 4 3 4 ar 5 4 5 1 6 5 12 am 7 5 13 2 8 6 4 ar 9 6 7 1 10 7 8 2 11 8 10 1 12 10 9 1 13 10 11 1 14 1 14 1 15 2 15 1 16 9 16 1 17 9 17 1 18 9 18 1 19 11 19 1 20 11 20 1 21 11 21 1 22 12 22 1 23 12 23 1