@<TRIPOS>MOLECULE
FDBF00847
 21 21 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  C1        -0.8110   -0.0220   -0.9730 C.3     1  FRG1       -0.0245
      2  C1        -1.6230   -0.4230    0.2620 C.3     1  FRG1       -0.0348
      3  N1        -3.0430   -0.4350   -0.0580 N.4     1  FRG1        0.2350
      4  C2        -3.8680   -0.8390    1.0800 C.3     1  FRG1       -0.0317
      5  C3        -5.2660   -0.4100    0.6580 C.3     1  FRG1       -0.0077
      6  C4        -5.0500    0.7220   -0.3430 C.3     1  FRG1       -0.0077
      7  C5        -3.5410    0.8860   -0.4380 C.3     1  FRG1       -0.0317
      8 H           0.2307   -0.0159   -0.7284 H       1  FRG1        0.0281
      9 H          -1.1079    0.9548   -1.2933 H       1  FRG1        0.0281
     10 H          -0.9885   -0.7247   -1.7601 H       1  FRG1        0.0281
     11 H          -1.4429    0.2802    1.0481 H       1  FRG1        0.0812
     12 H          -1.3254   -1.4018    0.5753 H       1  FRG1        0.0812
     13 H          -3.1169   -1.0988   -0.8289 H       1  FRG1        0.2033
     14 H          -3.5642   -0.3348    1.9736 H       1  FRG1        0.0814
     15 H          -3.7965   -1.8830    1.3034 H       1  FRG1        0.0814
     16 H          -5.7858   -1.2242    0.1978 H       1  FRG1        0.0319
     17 H          -5.8588   -0.0991    1.4927 H       1  FRG1        0.0319
     18 H          -5.4603    0.4632   -1.2967 H       1  FRG1        0.0319
     19 H          -5.5325    1.6261   -0.0353 H       1  FRG1        0.0319
     20 H          -3.1924    1.6379    0.2388 H       1  FRG1        0.0814
     21 H          -3.2106    1.1990   -1.4064 H       1  FRG1        0.0814
@<TRIPOS>BOND
     1     1     2    1
     2     7     6    1
     3     7     3    1
     4     6     5    1
     5     3     2    1
     6     3     4    1
     7     5     4    1
     8     1     8    1
     9     1     9    1
    10     1    10    1
    11     2    11    1
    12     2    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