@<TRIPOS>MOLECULE
FDBD02048
 27 31 0 0 0
SMALL
USER_CHARGES

@<TRIPOS>ATOM
      1 C          -0.0191    1.5606    0.0106 C.3     1   UNK        -0.0418
      2 C1          1.5337    1.7543   -0.0032 C.3     1   UNK        -0.0067
      3 C2          2.0307    0.8126    1.1205 C.3     1   UNK        -0.0036
      4 C3          1.0049   -0.3626    1.1253 C.3     1   UNK        -0.0036
      5 C4          0.0021   -0.0041    0.0020 C.3     1   UNK        -0.0067
      6 C5          0.8392   -0.2179   -1.3076 C.3     1   UNK         0.0886
      7 C6          1.8563    0.9507   -1.3115 C.3     1   UNK         0.0886
      8 O           0.8091    0.8321   -2.2731 O.3     1   UNK        -0.3677
      9 C7          0.3559   -0.2755    2.5308 C.3     1   UNK         0.1194
     10 C8         -0.4167    1.0431    2.5817 C.2     1   UNK         0.0585
     11 C9          0.4548    2.0398    2.5779 C.2     1   UNK         0.0585
     12 C10         1.8643    1.4492    2.5247 C.3     1   UNK         0.1194
     13 C11         1.6143    0.1490    3.3845 C.3     1   UNK         0.1663
     14 Cl          1.1900    0.5261    5.0938 Cl      1   UNK        -0.0964
     15 Cl1         2.9660   -1.0337    3.2571 Cl      1   UNK        -0.0964
     16 Cl2         3.2015    2.5233    3.0859 Cl      1   UNK        -0.1086
     17 Cl3         0.0569    3.7293    2.6297 Cl      1   UNK        -0.0851
     18 Cl4        -2.1439    1.2126    2.6394 Cl      1   UNK        -0.0851
     19 Cl5        -0.5289   -1.7412    3.1016 Cl      1   UNK        -0.1086
     20 H          -0.4766    1.9616    0.8908 H       1   UNK         0.0272
     21 H1         -0.5750    2.0425   -0.7664 H       1   UNK         0.0272
     22 H2          1.9077    2.7537    0.0765 H       1   UNK         0.0330
     23 H3          3.0565    0.5618    0.9479 H       1   UNK         0.0329
     24 H4          1.3911   -1.3462    0.9574 H       1   UNK         0.0329
     25 H5         -0.9361   -0.5118    0.0852 H       1   UNK         0.0330
     26 H6          0.7726   -1.2810   -1.4092 H       1   UNK         0.0625
     27 H7          2.8996    1.1633   -1.4176 H       1   UNK         0.0625
@<TRIPOS>BOND
     1     1     5    1
     2     1     2    1
     3     2     7    1
     4     2     3    1
     5     3    12    1
     6     3     4    1
     7     4     5    1
     8     4     9    1
     9     5     6    1
    10     6     8    1
    11     6     7    1
    12     7     8    1
    13     9    13    1
    14     9    10    1
    15     9    19    1
    16    10    11    2
    17    10    18    1
    18    11    12    1
    19    11    17    1
    20    12    13    1
    21    12    16    1
    22    13    14    1
    23    13    15    1
    24     1    20    1
    25     1    21    1
    26     2    22    1
    27     3    23    1
    28     4    24    1
    29     5    25    1
    30     6    26    1
    31     7    27    1