@<TRIPOS>MOLECULE
BindingDB_18913
 45 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         1.8746   21.3036   31.9462  C     
2    C         1.4355   22.5500   31.4595  C     
3    C         2.0307   23.1239   30.3116  C     
4    C         3.0391   22.4104   29.6413  C     
5    C         3.4586   21.1524   30.1163  C     
6    C         2.9001   20.6105   31.2978  C     
7    O         1.6201   24.3424   29.8408  O     
8    O         3.2388   19.4217   31.8819  O     
9    C         4.5771   19.1722   31.9434  C     
10   C         5.4337   19.8490   32.8422  C     
11   C         5.1050   18.2012   31.0674  C     
12   C         6.4834   17.9289   31.0745  C     
13   C         7.3582   18.6261   31.9334  C     
14   C         6.8178   19.5885   32.8176  C     
15   Cl        4.8420   20.9745   33.9682  Cl    
16   Cl        4.1002   17.3641   29.9874  Cl    
17   C         8.8140   18.3249   31.9195  C     
18   C         9.2537   17.8300   33.2326  C     
19   O         8.6756   16.7336   33.7754  O     
20   O        10.3242   18.3859   33.8392  O     
21   C         0.4228   23.2088   32.1705  C     
22   C        -1.8765   23.3391   32.9635  C     
23   C        -1.5890   24.5786   33.5650  C     
24   C        -0.2859   25.1218   33.5070  C     
25   C         0.7182   24.4229   32.8120  C     
26   C        -0.8692   22.6538   32.2724  C     
27   C         0.0598   26.4011   34.1619  C     
28   C         0.6268   27.4273   33.1527  C     
29   H         1.4700   20.9099   32.8015  H     
30   H         3.4650   22.8081   28.7993  H     
31   H         4.1922   20.6530   29.6148  H     
32   H         2.0302   24.4650   28.9576  H     
33   H         6.8500   17.2188   30.4361  H     
34   H         7.4394   20.0923   33.4583  H     
35   H         9.0630   17.5617   31.1765  H     
36   H         9.3634   19.2300   31.6537  H     
37   H        -2.8095   22.9312   33.0371  H     
38   H        -2.3266   25.0669   34.0683  H     
39   H         1.6722   24.8012   32.7776  H     
40   H        -1.0876   21.7504   31.8454  H     
41   H        -0.8156   26.8283   34.6571  H     
42   H         0.8081   26.1922   34.9358  H     
43   H         1.6797   27.2012   32.9521  H     
44   H         0.5581   28.4374   33.5616  H     
45   H         0.0787   27.4014   32.2060  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   21 1
     5    3    4 2
     6    3    7 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   11   16 1
    17   12   13 1
    18   13   14 2
    19   13   17 1
    20   17   18 1
    21   18   19 2
    22   18   20 1
    23   21   25 2
    24   21   26 1
    25   22   23 1
    26   22   26 2
    27   23   24 2
    28   24   25 1
    29   24   27 1
    30   27   28 1
    31    1   29 1
    32    4   30 1
    33    5   31 1
    34    7   32 1
    35   12   33 1
    36   14   34 1
    37   17   35 1
    38   17   36 1
    39   22   37 1
    40   23   38 1
    41   25   39 1
    42   26   40 1
    43   27   41 1
    44   27   42 1
    45   28   43 1
    46   28   44 1
    47   28   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.2192
  Crash		| -7.5856
  Polar		| 4.8210
  FragIndex	| 1
  FragRMSD	| 0.946