@<TRIPOS>MOLECULE
FDBF00857
 22 22 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  C1        -2.2030    1.2280   -0.3830 C.3     1  FRG1        0.0542
      2  O1        -0.4420    0.6940    1.8200 O.2     1  FRG1       -0.2795
      3  C2        -0.1050    0.4250    0.6700 C.2     1  FRG1        0.2001
      4  N3        -0.8730    0.6400   -0.4570 N.am    1  FRG1       -0.3125
      5  N1        -4.6400    0.6760   -0.2670 N.4     1  FRG1        0.2303
      6  C2        -3.2680    0.1510   -0.2190 C.3     1  FRG1       -0.0066
      7  C3        -3.2480   -0.8490   -1.3770 C.3     1  FRG1       -0.0035
      8  C4        -4.7020   -1.2640   -1.5750 C.3     1  FRG1       -0.0074
      9  C5        -5.4820   -0.4950   -0.5220 C.3     1  FRG1       -0.0332
     10 H          -2.3942    1.7750   -1.2825 H       1  FRG1        0.0518
     11 H          -2.2416    1.8776    0.4663 H       1  FRG1        0.0518
     12 H           0.8276    0.0042    0.5352 H       1  FRG1        0.1251
     13 H          -0.5105    0.3882   -1.3370 H       1  FRG1        0.1486
     14 H          -4.8893    1.1108    0.6214 H       1  FRG1        0.2017
     15 H          -4.7521    1.3933   -0.9834 H       1  FRG1        0.2017
     16 H          -3.0338   -0.2835    0.7303 H       1  FRG1        0.0866
     17 H          -2.8657   -0.3881   -2.2637 H       1  FRG1        0.0322
     18 H          -2.6183   -1.6885   -1.1684 H       1  FRG1        0.0322
     19 H          -4.8145   -2.3182   -1.4301 H       1  FRG1        0.0319
     20 H          -5.0479   -1.0503   -2.5647 H       1  FRG1        0.0319
     21 H          -5.6055   -1.0790    0.3660 H       1  FRG1        0.0814
     22 H          -6.4714   -0.2383   -0.8383 H       1  FRG1        0.0814
@<TRIPOS>BOND
     1     8     7    1
     2     8     9    1
     3     7     6    1
     4     9     5    1
     5     4     1    1
     6     4     3   am
     7     1     6    1
     8     5     6    1
     9     3     2    2
    10     1    10    1
    11     1    11    1
    12     3    12    1
    13     4    13    1
    14     5    14    1
    15     5    15    1
    16     6    16    1
    17     7    17    1
    18     7    18    1
    19     8    19    1
    20     8    20    1
    21     9    21    1
    22     9    22    1