@<TRIPOS>MOLECULE
FDBF00394
 22 22 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  C1         1.6580    1.3110   -0.2430 C.3     1  FRG1       -0.0178
      2  C2         0.9630    2.5430    0.3510 C.3     1  FRG1       -0.0481
      3  C3         1.0720    3.7530   -0.5730 C.3     1  FRG1       -0.0527
      4  C4         2.5230    4.0580   -0.9320 C.3     1  FRG1       -0.0530
      5  C5         3.2230    2.8380   -1.5220 C.3     1  FRG1       -0.0527
      6  C6         3.1170    1.6260   -0.6000 C.3     1  FRG1       -0.0481
      7  C18        1.5810    0.1300    0.7220 C.3     1  FRG1        0.0470
      8  O19        2.2980    0.5150    1.9020 O.3     1  FRG1       -0.3947
      9 H           1.1461    1.0421   -1.1433 H       1  FRG1        0.0323
     10 H           1.4202    2.7805    1.2888 H       1  FRG1        0.0269
     11 H          -0.0741    2.3123    0.4775 H       1  FRG1        0.0269
     12 H           0.6499    4.6044   -0.0812 H       1  FRG1        0.0265
     13 H           0.5435    3.5320   -1.4767 H       1  FRG1        0.0265
     14 H           3.0428    4.3630   -0.0479 H       1  FRG1        0.0265
     15 H           2.5299    4.8360   -1.6665 H       1  FRG1        0.0265
     16 H           4.2567    3.0701   -1.6723 H       1  FRG1        0.0265
     17 H           2.7461    2.5952   -2.4486 H       1  FRG1        0.0265
     18 H           3.5447    0.7775   -1.0919 H       1  FRG1        0.0269
     19 H           3.6417    1.8486    0.3056 H       1  FRG1        0.0269
     20 H           2.0316   -0.7353    0.2825 H       1  FRG1        0.0560
     21 H           0.5648   -0.1140    0.9515 H       1  FRG1        0.0560
     22 H           3.2142    0.7306    1.6677 H       1  FRG1        0.2094
@<TRIPOS>BOND
     1     1     2    1
     2     1     6    1
     3     1     7    1
     4     2     3    1
     5     3     4    1
     6     4     5    1
     7     5     6    1
     8     7     8    1
     9     1     9    1
    10     2    10    1
    11     2    11    1
    12     3    12    1
    13     3    13    1
    14     4    14    1
    15     4    15    1
    16     5    16    1
    17     5    17    1
    18     6    18    1
    19     6    19    1
    20     7    20    1
    21     7    21    1
    22     8    22    1