@<TRIPOS>MOLECULE
FDBF04162
 22 22 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  O1         1.6330   -2.5810   -2.2570 O.3     1  FRG1       -0.3693
      2  C2         1.3800   -3.2030   -1.0000 C.3     1  FRG1        0.0878
      3  C3         1.8800   -2.3300    0.1410 C.3     1  FRG1       -0.0065
      4  N4         1.2310   -0.9420    0.0860 N.4     1  FRG1        0.2423
      5  C5         1.4050   -0.3570   -1.3210 C.3     1  FRG1       -0.0065
      6  C6         0.9320   -1.3450   -2.3760 C.3     1  FRG1        0.0878
      7  C1         1.9490   -0.0290    1.0850 C.3     1  FRG1       -0.0414
      8  C1        -0.2400   -0.9950    0.4920 C.3     1  FRG1       -0.0414
      9 H           1.8834   -4.1466   -0.9672 H       1  FRG1        0.0613
     10 H           0.3247   -3.3418   -0.8906 H       1  FRG1        0.0613
     11 H           2.9419   -2.2245    0.0632 H       1  FRG1        0.0838
     12 H           1.6201   -2.7947    1.0691 H       1  FRG1        0.0838
     13 H           0.8319    0.5431   -1.4006 H       1  FRG1        0.0838
     14 H           2.4426   -0.1517   -1.4824 H       1  FRG1        0.0838
     15 H          -0.1156   -1.5213   -2.2480 H       1  FRG1        0.0613
     16 H           1.1226   -0.9325   -3.3447 H       1  FRG1        0.0613
     17 H           2.9865    0.0320    0.8305 H       1  FRG1        0.0778
     18 H           1.8468   -0.4299    2.0718 H       1  FRG1        0.0778
     19 H           1.5152    0.9485    1.0504 H       1  FRG1        0.0778
     20 H          -0.7747   -1.6264   -0.1865 H       1  FRG1        0.0778
     21 H          -0.6538   -0.0087    0.4628 H       1  FRG1        0.0778
     22 H          -0.3223   -1.3871    1.4842 H       1  FRG1        0.0778
@<TRIPOS>BOND
     1     6     1    1
     2     6     5    1
     3     1     2    1
     4     5     4    1
     5     2     3    1
     6     4     3    1
     7     4     8    1
     8     4     7    1
     9     2     9    1
    10     2    10    1
    11     3    11    1
    12     3    12    1
    13     5    13    1
    14     5    14    1
    15     6    15    1
    16     6    16    1
    17     7    17    1
    18     7    18    1
    19     7    19    1
    20     8    20    1
    21     8    21    1
    22     8    22    1