@<TRIPOS>MOLECULE
BindingDB_25401
 27 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        49.4050   95.0568   34.0401  C     
2    C        49.3169   96.4637   34.0288  C     
3    C        50.1536   97.2479   34.8546  C     
4    C        51.0814   96.5938   35.6996  C     
5    C        51.1600   95.1877   35.7253  C     
6    C        50.3318   94.4133   34.8861  C     
7    O        48.6090   94.3151   33.2278  O     
8    O        50.3794   93.0414   34.8996  O     
9    C        51.4856   92.4172   34.3583  C     
10   C        51.8981   91.1838   34.9184  C     
11   C        52.1696   92.9033   33.2166  C     
12   C        53.2552   92.1986   32.6678  C     
13   C        53.6616   90.9774   33.2363  C     
14   C        52.9812   90.4712   34.3608  C     
15   Cl       51.0980   90.5205   36.2587  Cl    
16   Cl       54.9554   90.1175   32.5595  Cl    
17   C        50.0305   98.7239   34.8163  C     
18   H        48.6366   96.9160   33.4106  H     
19   H        51.6984   97.1328   36.3106  H     
20   H        51.8242   94.7276   36.3518  H     
21   H        48.4690   94.8585   32.4209  H     
22   H        51.8808   93.7773   32.7769  H     
23   H        53.7408   92.5768   31.8513  H     
24   H        53.2727   89.5787   34.7704  H     
25   H        50.1544   99.0812   33.7937  H     
26   H        50.7796   99.2135   35.4354  H     
27   H        49.0448   99.0190   35.1739  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    3   17 1
     7    4    5 1
     8    5    6 2
     9    6    8 1
    10    8    9 1
    11    9   10 2
    12    9   11 1
    13   10   14 1
    14   10   15 1
    15   11   12 2
    16   12   13 1
    17   13   14 2
    18   13   16 1
    19    2   18 1
    20    4   19 1
    21    5   20 1
    22    7   21 1
    23   11   22 1
    24   12   23 1
    25   14   24 1
    26   17   25 1
    27   17   26 1
    28   17   27 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.9885
  Crash		| -0.5877
  Polar		| 0.0037
  FragIndex	| 1
  FragRMSD	| 0.174