@<TRIPOS>MOLECULE
BindingDB_68263
 45 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.5941  -34.4520  -59.2305  C     
2    C        17.3932  -33.7492  -59.5028  C     
3    C        16.8933  -32.8095  -58.5927  C     
4    C        17.5792  -32.5387  -57.4014  C     
5    C        18.7780  -33.2317  -57.1095  C     
6    C        19.2907  -34.2223  -58.0017  C     
7    C        19.0560  -35.3435  -60.2204  C     
8    O        16.6683  -33.9769  -60.6273  O     
9    O        17.0497  -31.5735  -56.5978  O     
10   O        19.3553  -34.8644  -61.4519  O     
11   O        19.2622  -36.6461  -59.9378  O     
12   C        19.8984  -35.6082  -62.5495  C     
13   C        20.2736  -34.6580  -63.7027  C     
14   C        21.0359  -33.5187  -63.2185  C     
15   C        22.3645  -33.3938  -63.3481  C     
16   C        20.5203  -35.0206  -57.6457  C     
17   C        21.6963  -34.7043  -58.4397  C     
18   C        22.3913  -33.4247  -58.3301  C     
19   O        22.2610  -35.6230  -59.0173  O     
20   Cl       19.5814  -32.7736  -55.6797  Cl    
21   C        23.1019  -32.2581  -62.8165  C     
22   C        24.2095  -32.6495  -61.8057  C     
23   C        23.7331  -33.4497  -60.5704  C     
24   C        22.6679  -32.7285  -59.6912  C     
25   H        16.0262  -32.3056  -58.8055  H     
26   H        15.9252  -34.5496  -60.3324  H     
27   H        17.4900  -31.6492  -55.7256  H     
28   H        20.7938  -36.1440  -62.2175  H     
29   H        19.1677  -36.3438  -62.8976  H     
30   H        20.8245  -35.2167  -64.4693  H     
31   H        19.3580  -34.2804  -64.1643  H     
32   H        20.5361  -32.8251  -62.7085  H     
33   H        22.8751  -34.1138  -63.8108  H     
34   H        20.8123  -34.8907  -56.6068  H     
35   H        20.2753  -36.0801  -57.7165  H     
36   H        21.8093  -32.7260  -57.7240  H     
37   H        23.3414  -33.5719  -57.8063  H     
38   H        23.5683  -31.7396  -63.6556  H     
39   H        22.4334  -31.5425  -62.3292  H     
40   H        24.9689  -33.2424  -62.3318  H     
41   H        24.7002  -31.7326  -61.4577  H     
42   H        23.3370  -34.4057  -60.9233  H     
43   H        24.6100  -33.6681  -59.9561  H     
44   H        21.7261  -32.6453  -60.2419  H     
45   H        23.0241  -31.7136  -59.4816  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   20 1
    11    6   16 1
    12    7   10 1
    13    7   11 2
    14   10   12 1
    15   12   13 1
    16   13   14 1
    17   14   15 2
    18   15   21 1
    19   16   17 1
    20   17   18 1
    21   17   19 2
    22   18   24 1
    23   21   22 1
    24   22   23 1
    25   23   24 1
    26    3   25 1
    27    8   26 1
    28    9   27 1
    29   12   28 1
    30   12   29 1
    31   13   30 1
    32   13   31 1
    33   14   32 1
    34   15   33 1
    35   16   34 1
    36   16   35 1
    37   18   36 1
    38   18   37 1
    39   21   38 1
    40   21   39 1
    41   22   40 1
    42   22   41 1
    43   23   42 1
    44   23   43 1
    45   24   44 1
    46   24   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.0596
  Crash		| -4.5086
  Polar		| 0.7552
  FragIndex	| 1
  FragRMSD	| 1.125