@<TRIPOS>MOLECULE
FDBD02161
 27 27 0 0 0
SMALL
USER_CHARGES

@<TRIPOS>ATOM
      1 C           0.9110    2.3445   -0.1154 C.3     1   UNK         0.0811
      2 O           0.8317    0.9310   -0.3101 O.2     1   UNK        -0.4709
      3 C1          1.2599    0.1443    0.7081 C.2     1   UNK         0.3278
      4 N           1.7322    0.5315    1.8498 N.2     1   UNK         0.0463
      5 N1          2.1166   -0.4256    2.7615 N.am    1   UNK        -0.0002
      6 C2          2.6592   -0.0633    4.0732 C.3     1   UNK         0.2281
      7 S           1.3097    0.0259    5.2822 S.3     1   UNK        -0.0016
      8 P           0.3918    1.8840    4.8360 P.3     1   UNK         0.2343
      9 S1         -0.9472    2.2311    6.0848 S.2     1   UNK         0.0033
     10 O1          1.4952    3.0551    4.8928 O.3     1   UNK        -0.3266
     11 C3          2.4622    3.1632    5.9394 C.3     1   UNK         0.0441
     12 O2         -0.2520    1.8243    3.3615 O.3     1   UNK        -0.3266
     13 C4         -1.4597    1.1194    3.0676 C.3     1   UNK         0.0441
     14 C5          1.9690   -1.7112    2.3889 C.2     1   UNK         0.4793
     15 O3          2.2422   -2.7094    3.0322 O.2     1   UNK        -0.2045
     16 S2          1.2819   -1.6279    0.7555 S.3     1   UNK         0.0905
     17 H           0.5448    2.8457   -0.9869 H       1   UNK         0.0661
     18 H1          1.9295    2.6244    0.0555 H       1   UNK         0.0661
     19 H2          0.3181    2.6218    0.7311 H       1   UNK         0.0661
     20 H3          3.1434    0.8887    4.0083 H       1   UNK         0.1181
     21 H4          3.3673   -0.8033    4.3830 H       1   UNK         0.1181
     22 H5          3.0846    4.0155    5.7633 H       1   UNK         0.0528
     23 H6          3.0652    2.2795    5.9606 H       1   UNK         0.0528
     24 H7          1.9609    3.2755    6.8780 H       1   UNK         0.0528
     25 H8         -1.6884    1.2220    2.0274 H       1   UNK         0.0528
     26 H9         -2.2602    1.5248    3.6505 H       1   UNK         0.0528
     27 H10        -1.3348    0.0835    3.3048 H       1   UNK         0.0528
@<TRIPOS>BOND
     1     1     2    1
     2     2     3    1
     3     3    16    1
     4     3     4    2
     5     4     5    1
     6     5     6    1
     7     5    14   am
     8     6     7    1
     9     7     8    1
    10     8     9    2
    11     8    10    1
    12     8    12    1
    13    10    11    1
    14    12    13    1
    15    14    15    2
    16    14    16    1
    17     1    17    1
    18     1    18    1
    19     1    19    1
    20     6    20    1
    21     6    21    1
    22    11    22    1
    23    11    23    1
    24    11    24    1
    25    13    25    1
    26    13    26    1
    27    13    27    1