@<TRIPOS>MOLECULE
BindingDB_68248
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.5927  -34.1920  -59.5716  C     
2    C        17.6091  -33.1761  -59.4687  C     
3    C        17.4778  -32.4402  -58.2810  C     
4    C        18.2782  -32.7207  -57.1704  C     
5    C        19.2580  -33.7359  -57.2502  C     
6    C        19.4489  -34.4753  -58.4596  C     
7    C        18.7060  -34.8471  -60.8224  C     
8    O        16.7815  -32.8780  -60.5102  O     
9    O        18.0447  -31.9704  -56.0551  O     
10   Cl       20.1688  -34.0317  -55.8458  Cl    
11   O        19.8216  -34.6473  -61.5713  O     
12   O        17.6249  -35.4616  -61.3627  O     
13   C        20.0292  -35.0255  -62.9409  C     
14   C        21.4063  -34.5424  -63.4687  C     
15   C        21.7161  -33.2002  -63.0059  C     
16   C        22.8234  -32.9049  -62.3017  C     
17   C        20.4782  -35.5690  -58.5102  C     
18   C        21.8586  -35.1051  -58.3731  C     
19   C        22.5400  -34.3155  -59.3836  C     
20   C        22.3660  -32.7834  -59.1864  C     
21   C        23.3454  -31.9200  -60.0315  C     
22   C        22.9534  -31.6918  -61.5141  C     
23   O        22.5279  -35.5360  -57.4404  O     
24   H        16.7889  -31.6838  -58.2126  H     
25   H        16.1446  -32.1951  -60.2020  H     
26   H        18.5106  -32.3889  -55.3019  H     
27   H        19.9570  -36.1130  -63.0377  H     
28   H        19.2364  -34.5767  -63.5451  H     
29   H        22.1677  -35.2594  -63.1526  H     
30   H        21.3868  -34.5383  -64.5589  H     
31   H        21.0206  -32.4975  -63.1300  H     
32   H        23.5643  -33.5716  -62.2512  H     
33   H        20.2432  -36.2737  -57.7046  H     
34   H        20.4218  -36.1647  -59.4261  H     
35   H        23.6068  -34.5566  -59.3604  H     
36   H        22.1722  -34.6196  -60.3617  H     
37   H        21.3387  -32.4947  -59.4166  H     
38   H        22.5465  -32.5465  -58.1354  H     
39   H        23.3961  -30.9303  -59.5678  H     
40   H        24.3537  -32.3406  -59.9833  H     
41   H        23.7298  -31.0764  -61.9819  H     
42   H        22.0202  -31.1146  -61.5226  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   11   13 1
    15   13   14 1
    16   14   15 1
    17   15   16 2
    18   16   22 1
    19   17   18 1
    20   18   19 1
    21   18   23 2
    22   19   20 1
    23   20   21 1
    24   21   22 1
    25    3   24 1
    26    8   25 1
    27    9   26 1
    28   13   27 1
    29   13   28 1
    30   14   29 1
    31   14   30 1
    32   15   31 1
    33   16   32 1
    34   17   33 1
    35   17   34 1
    36   19   35 1
    37   19   36 1
    38   20   37 1
    39   20   38 1
    40   21   39 1
    41   21   40 1
    42   22   41 1
    43   22   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6751
  Crash		| -1.7737
  Polar		| 1.4840
  FragIndex	| 1
  FragRMSD	| 0.980