@<TRIPOS>MOLECULE
FDBD02952
 17 17 0 0 0
SMALL
USER_CHARGES

@<TRIPOS>ATOM
      1 C          -0.0167    1.3792    0.0096 C.ar    1   UNK        -0.0617
      2 C1          1.1684    2.0930    0.0021 C.ar    1   UNK        -0.0610
      3 C2          2.3774    1.4282   -0.0135 C.ar    1   UNK        -0.0494
      4 C3          2.4031    0.0334   -0.0212 C.ar    1   UNK         0.0393
      5 C4          1.2046   -0.6805   -0.0131 C.ar    1   UNK        -0.0494
      6 C5          0.0021   -0.0041    0.0020 C.ar    1   UNK        -0.0610
      7 C6          3.6961   -0.6857   -0.0384 C.2     1   UNK         0.2557
      8 N           3.7168   -1.9841   -0.0456 N.2     1   UNK        -0.0480
      9 O           4.9542   -2.6723   -0.0621 O.2     1   UNK        -0.4064
     10 O1          4.8585    0.0105   -0.0467 O.2     1   UNK        -0.4901
     11 H          -0.9186    1.8808    0.0209 H       1   UNK         0.0618
     12 H1          1.1481    3.1248    0.0082 H       1   UNK         0.0618
     13 H2          3.2608    1.9617   -0.0195 H       1   UNK         0.0625
     14 H3          1.2174   -1.7124   -0.0184 H       1   UNK         0.0625
     15 H4         -0.8851   -0.5312    0.0076 H       1   UNK         0.0618
     16 H5          4.9692   -3.6092   -0.0673 H       1   UNK         0.3279
     17 H6          4.8435    0.9474   -0.0415 H       1   UNK         0.2938
@<TRIPOS>BOND
     1     1     6   ar
     2     1     2   ar
     3     2     3   ar
     4     3     4   ar
     5     4     5   ar
     6     4     7    1
     7     5     6   ar
     8     7     8    2
     9     7    10    1
    10     8     9    1
    11     1    11    1
    12     2    12    1
    13     3    13    1
    14     5    14    1
    15     6    15    1
    16     9    16    1
    17    10    17    1