@<TRIPOS>MOLECULE
BindingDB_16648
 33 33 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.3604    2.1137   15.9563  C     
2    C        -6.0023    3.1325   15.2302  C     
3    C        -5.2556    4.0950   14.5281  C     
4    C        -3.8379    4.0935   14.5890  C     
5    C        -3.1947    3.0538   15.3043  C     
6    C        -3.9464    2.0750   15.9829  C     
7    S        -6.2699    1.0069   16.9467  S     
8    O        -6.0275   -0.4679   16.4004  O     
9    O        -5.8678    1.0188   18.4878  O     
10   N        -7.9392    1.1402   16.8475  N     
11   N        -3.0598    5.0264   13.9727  N     
12   C        -2.7968    5.1294   12.6766  C     
13   O        -3.2903    4.3279   11.8782  O     
14   C        -1.8169    6.0826   12.2077  C     
15   C        -2.0815    7.5526   12.6728  C     
16   C        -1.0895    8.1240   13.7302  C     
17   C        -1.5851    8.1034   15.1953  C     
18   H        -7.0203    3.1773   15.2019  H     
19   H        -5.7374    4.8278   14.0135  H     
20   H        -2.1773    3.0146   15.3595  H     
21   H        -3.4577    1.3268   16.4952  H     
22   H        -8.4726    0.3452   16.6629  H     
23   H        -8.3773    1.9693   17.1203  H     
24   H        -2.5865    5.6233   14.5638  H     
25   H        -0.8294    5.7527   12.5281  H     
26   H        -1.7972    6.0828   11.1172  H     
27   H        -1.9921    8.1937   11.7903  H     
28   H        -3.1081    7.6721   13.0300  H     
29   H        -0.1338    7.5874   13.6591  H     
30   H        -0.8863    9.1690   13.4612  H     
31   H        -2.5385    8.6255   15.2828  H     
32   H        -0.8517    8.6018   15.8260  H     
33   H        -1.6914    7.0859   15.5459  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4   11 1
     8    5    6 1
     9    7    8 2
    10    7    9 2
    11    7   10 am
    12   11   12 am
    13   12   13 2
    14   12   14 1
    15   14   15 1
    16   15   16 1
    17   16   17 1
    18    2   18 1
    19    3   19 1
    20    5   20 1
    21    6   21 1
    22   10   22 1
    23   10   23 1
    24   11   24 1
    25   14   25 1
    26   14   26 1
    27   15   27 1
    28   15   28 1
    29   16   29 1
    30   16   30 1
    31   17   31 1
    32   17   32 1
    33   17   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.2182
  Crash		| -1.2811
  Polar		| 1.7788
  FragIndex	| 1
  FragRMSD	| 1.032