@<TRIPOS>MOLECULE
FDBF01628
 20 19 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  S1         3.5560   -0.3650    1.3920 S.3     1  FRG1       -0.0235
      2  O2         2.7680   -1.4990    1.8370 O.3     1  FRG1       -0.2669
      3  O3         4.6850    0.0760    2.1900 O.3     1  FRG1       -0.2669
      4  C1         3.1080    2.1910    0.4770 C.3     1  FRG1        0.0191
      5  C1         2.4030    3.4670    0.9520 C.3     1  FRG1       -0.0325
      6  C4         2.9280    4.7130    0.2370 C.3     1  FRG1       -0.0615
      7  C8         2.4810    3.6440    2.4690 C.3     1  FRG1       -0.0615
      8  N1         2.5090    0.9730    1.0820 N.3     1  FRG1       -0.1994
      9 H           2.0557   -1.6675    1.2005 H       1  FRG1        0.2432
     10 H           5.1054    0.8382    1.7620 H       1  FRG1        0.2432
     11 H           4.1407    2.2427    0.7523 H       1  FRG1        0.0444
     12 H           2.9965    2.1246   -0.5851 H       1  FRG1        0.0444
     13 H           1.3717    3.3485    0.6927 H       1  FRG1        0.0308
     14 H           3.9604    4.8551    0.4797 H       1  FRG1        0.0233
     15 H           2.3667    5.5679    0.5516 H       1  FRG1        0.0233
     16 H           2.8243    4.5877   -0.8206 H       1  FRG1        0.0233
     17 H           3.5030    3.7655    2.7618 H       1  FRG1        0.0233
     18 H           2.0723    2.7802    2.9504 H       1  FRG1        0.0233
     19 H           1.9223    4.5102    2.7562 H       1  FRG1        0.0233
     20 H           1.7769    0.6475    0.4508 H       1  FRG1        0.1473
@<TRIPOS>BOND
     1     6     5    1
     2     4     5    1
     3     4     8    1
     4     5     7    1
     5     8     1    1
     6     1     2    1
     7     1     3    1
     8     2     9    1
     9     3    10    1
    10     4    11    1
    11     4    12    1
    12     5    13    1
    13     6    14    1
    14     6    15    1
    15     6    16    1
    16     7    17    1
    17     7    18    1
    18     7    19    1
    19     8    20    1