@<TRIPOS>MOLECULE
FDBF00462
 16 16 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  O1        -3.6450    0.4840    0.7830 O.3     1  FRG1       -0.4645
      2  C2        -3.1830   -0.2780   -0.3530 C.3     1  FRG1        0.0948
      3  C3        -4.2750   -0.4860   -1.3920 C.3     1  FRG1        0.0081
      4  C4        -5.4950   -1.0900   -0.7220 C.3     1  FRG1        0.0684
      5  C5        -5.9690   -0.1940    0.4050 C.3     1  FRG1        0.0710
      6  C6        -4.8820    0.3310    1.3110 C.2     1  FRG1        0.3096
      7  O7        -5.1380    0.7140    2.4510 O.2     1  FRG1       -0.2508
      8  O14       -5.1940   -2.3790   -0.1950 O.3     1  FRG1       -0.3911
      9 H          -2.8462   -1.2345   -0.0117 H       1  FRG1        0.0698
     10 H          -2.3912    0.2728   -0.8163 H       1  FRG1        0.0698
     11 H          -3.9215   -1.1479   -2.1547 H       1  FRG1        0.0323
     12 H          -4.5356    0.4540   -1.8317 H       1  FRG1        0.0323
     13 H          -6.2655   -1.1826   -1.4587 H       1  FRG1        0.0600
     14 H          -6.6578   -0.7523    1.0040 H       1  FRG1        0.0403
     15 H          -6.4054    0.6640   -0.0622 H       1  FRG1        0.0403
     16 H          -4.4957   -2.3000    0.4736 H       1  FRG1        0.2098
@<TRIPOS>BOND
     1     1     2    1
     2     1     6    1
     3     2     3    1
     4     3     4    1
     5     4     8    1
     6     4     5    1
     7     5     6    1
     8     6     7    2
     9     2     9    1
    10     2    10    1
    11     3    11    1
    12     3    12    1
    13     4    13    1
    14     5    14    1
    15     5    15    1
    16     8    16    1