@<TRIPOS>MOLECULE
BindingDB_25407
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        48.3891   90.9180   34.0565  C     
2    C        47.8270   92.1991   33.9409  C     
3    C        48.3270   93.2864   34.6996  C     
4    C        49.3761   93.0401   35.6217  C     
5    C        49.9329   91.7567   35.7490  C     
6    C        49.4678   90.6990   34.9378  C     
7    O        47.8971   89.9114   33.2917  O     
8    O        50.0132   89.4497   35.0222  O     
9    C        51.1770   89.2060   34.3257  C     
10   C        51.9608   88.1025   34.7467  C     
11   C        51.5950   89.9341   33.1780  C     
12   C        52.7876   89.6015   32.5033  C     
13   C        53.5726   88.5218   32.9562  C     
14   C        53.1486   87.7727   34.0680  C     
15   Cl       51.4880   87.1582   36.0673  Cl    
16   Cl       55.0126   88.1285   32.1518  Cl    
17   C        47.7552   94.6448   34.5022  C     
18   C        46.2777   94.7564   34.9525  C     
19   H        47.0638   92.3488   33.2814  H     
20   H        49.7462   93.8005   36.1986  H     
21   H        50.6899   91.5943   36.4130  H     
22   H        48.6416   89.6232   32.7198  H     
23   H        51.0393   90.7152   32.8226  H     
24   H        53.0829   90.1393   31.6920  H     
25   H        53.7090   86.9746   34.3875  H     
26   H        48.3346   95.3939   35.0500  H     
27   H        47.8209   94.9014   33.4404  H     
28   H        45.6366   94.1164   34.3410  H     
29   H        45.9393   95.7893   34.8396  H     
30   H        46.1757   94.4669   36.0013  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   17   18 1
    20    2   19 1
    21    4   20 1
    22    5   21 1
    23    7   22 1
    24   11   23 1
    25   12   24 1
    26   14   25 1
    27   17   26 1
    28   17   27 1
    29   18   28 1
    30   18   29 1
    31   18   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.2716
  Crash		| -0.5958
  Polar		| 1.3096
  FragIndex	| 1
  FragRMSD	| 0.284