@<TRIPOS>MOLECULE
BindingDB_68254
 52 54 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.2486   -2.8818   -4.8462  C     
2    C        19.2628   -3.7007   -5.2368  C     
3    C        19.6505   -4.7762   -4.4231  C     
4    C        19.2784   -4.8891   -3.0460  C     
5    C        18.3597   -3.9053   -2.5850  C     
6    C        17.8064   -2.9326   -3.4279  C     
7    C        17.5692   -2.0748   -5.7689  C     
8    O        19.8884   -3.7583   -6.5311  O     
9    O        19.7450   -5.8656   -2.2067  O     
10   Cl       17.9195   -4.0540   -0.9050  Cl    
11   O        17.8655   -1.6775   -7.0139  O     
12   O        17.4724   -0.8283   -5.2819  O     
13   C        16.7267   -1.4647   -7.9495  C     
14   C        16.4315   -2.4750   -9.0877  C     
15   C        15.2398   -3.3667   -8.8655  C     
16   C        15.3699   -4.5441   -7.9205  C     
17   C        16.7225   -1.9718   -2.9268  C     
18   C        15.4413   -2.2570   -3.5518  C     
19   C        14.7728   -3.5432   -3.4239  C     
20   C        14.8718   -4.4640   -4.6741  C     
21   C        13.9141   -4.0935   -5.8405  C     
22   C        14.1155   -4.9404   -7.1256  C     
23   O        14.9072   -1.3822   -4.2380  O     
24   C        15.5386   -0.4082   -7.5396  C     
25   C        21.1774   -3.1039   -6.8870  C     
26   C        20.3467   -7.1114   -2.6375  C     
27   O        15.2943   -4.6990   -9.3570  O     
28   H        20.2541   -5.5189   -4.8362  H     
29   H        17.2531   -0.6672   -8.5749  H     
30   H        16.2972   -1.9449  -10.0490  H     
31   H        17.3856   -3.0793   -9.2224  H     
32   H        14.2468   -2.9032   -8.9568  H     
33   H        16.3614   -4.7582   -7.5347  H     
34   H        16.5492   -1.9989   -1.8402  H     
35   H        17.0251   -0.9387   -3.0719  H     
36   H        15.2178   -4.0853   -2.5845  H     
37   H        13.7235   -3.3829   -3.1659  H     
38   H        15.9014   -4.4885   -5.0363  H     
39   H        14.6237   -5.4815   -4.3641  H     
40   H        12.8859   -4.2502   -5.4920  H     
41   H        14.0133   -3.0378   -6.0902  H     
42   H        13.2325   -4.8249   -7.7624  H     
43   H        14.1883   -5.9999   -6.8636  H     
44   H        14.7291   -0.9045   -7.0661  H     
45   H        15.2156    0.0575   -8.4244  H     
46   H        15.9964    0.3146   -6.9037  H     
47   H        20.9771   -1.9593   -6.6200  H     
48   H        21.2880   -3.2798   -7.9191  H     
49   H        22.0348   -3.6515   -6.3832  H     
50   H        19.5826   -7.7979   -3.0194  H     
51   H        20.8478   -7.6086   -1.8129  H     
52   H        21.0937   -6.9413   -3.4204  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    2    8 1
     6    3    4 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    5   10 1
    11    6   17 1
    12    7   11 1
    13    7   12 2
    14    8   25 1
    15    9   26 1
    16   11   13 1
    17   13   14 1
    18   13   24 1
    19   14   15 1
    20   15   16 1
    21   15   27 1
    22   16   22 1
    23   16   27 1
    24   17   18 1
    25   18   19 1
    26   18   23 2
    27   19   20 1
    28   20   21 1
    29   21   22 1
    30    3   28 1
    31   13   29 1
    32   14   30 1
    33   14   31 1
    34   15   32 1
    35   16   33 1
    36   17   34 1
    37   17   35 1
    38   19   36 1
    39   19   37 1
    40   20   38 1
    41   20   39 1
    42   21   40 1
    43   21   41 1
    44   22   42 1
    45   22   43 1
    46   24   44 1
    47   24   45 1
    48   24   46 1
    49   25   47 1
    50   25   48 1
    51   25   49 1
    52   26   50 1
    53   26   51 1
    54   26   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0229
  Crash		| -2.0485
  Polar		| 0.0411
  FragIndex	| 1
  FragRMSD	| 0.841