@<TRIPOS>MOLECULE
FDBF00748
 29 29 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  C1         5.7830    0.0140    2.6410 C.2     1  FRG1       -0.0850
      2  C2         5.2190    0.7710    1.6940 C.2     1  FRG1       -0.0908
      3  C3         3.7230    0.8750    1.6330 C.3     1  FRG1       -0.0468
      4  O1        10.4880    1.5810    2.0510 O.3     1  FRG1       -0.3783
      5  C2        10.2270    2.8640    2.6290 C.3     1  FRG1        0.0369
      6 Cl1        11.7120   -1.1660    2.5460 Cl      1  FRG1       -0.1191
      7  C2        10.0420   -0.8000    2.1010 C.3     1  FRG1        0.0601
      8  C3         9.6420    0.5880    2.6450 C.3     1  FRG1        0.0750
      9  C4         8.1680    0.8880    2.3030 C.3     1  FRG1       -0.0190
     10  C5         7.2530   -0.2220    2.8570 C.3     1  FRG1       -0.0205
     11  C6         7.6520   -1.5940    2.2810 C.3     1  FRG1       -0.0453
     12  C7         9.1130   -1.8950    2.6640 C.3     1  FRG1       -0.0337
     13 H           5.1401   -0.4598    3.2947 H       1  FRG1        0.0572
     14 H           5.8056    1.2779    1.0129 H       1  FRG1        0.0566
     15 H           3.2923    0.2843    2.4143 H       1  FRG1        0.0272
     16 H           3.3790    0.5178    0.6849 H       1  FRG1        0.0272
     17 H           3.4312    1.8970    1.7563 H       1  FRG1        0.0272
     18 H          10.8644    3.5951    2.1772 H       1  FRG1        0.0524
     19 H          10.4172    2.8265    3.6813 H       1  FRG1        0.0524
     20 H           9.2043    3.1297    2.4606 H       1  FRG1        0.0524
     21 H           9.9498   -0.7804    1.0352 H       1  FRG1        0.0491
     22 H           9.7563    0.6009    3.7088 H       1  FRG1        0.0610
     23 H           8.0559    0.9400    1.2402 H       1  FRG1        0.0296
     24 H           7.8909    1.8212    2.7472 H       1  FRG1        0.0296
     25 H           7.4035   -0.2055    3.9162 H       1  FRG1        0.0344
     26 H           7.0125   -2.3515    2.6837 H       1  FRG1        0.0271
     27 H           7.5538   -1.5803    1.2156 H       1  FRG1        0.0271
     28 H           9.2017   -1.9213    3.7300 H       1  FRG1        0.0280
     29 H           9.3961   -2.8414    2.2529 H       1  FRG1        0.0280
@<TRIPOS>BOND
     1     3     2    1
     2     2     1    2
     3     4     5    1
     4     4     8    1
     5     7     6    1
     6     7     8    1
     7     7    12    1
     8    11    12    1
     9    11    10    1
    10     9     8    1
    11     9    10    1
    12     1    10    1
    13     1    13    1
    14     2    14    1
    15     3    15    1
    16     3    16    1
    17     3    17    1
    18     5    18    1
    19     5    19    1
    20     5    20    1
    21     7    21    1
    22     8    22    1
    23     9    23    1
    24     9    24    1
    25    10    25    1
    26    11    26    1
    27    11    27    1
    28    12    28    1
    29    12    29    1