@<TRIPOS>MOLECULE
BindingDB_68258
 51 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.3467  -34.5193   -4.9444  C     
2    C        17.2652  -33.6089   -4.7922  C     
3    C        17.0447  -32.9421   -3.5785  C     
4    C        17.9002  -33.1400   -2.4916  C     
5    C        18.9832  -34.0355   -2.5958  C     
6    C        19.2256  -34.7378   -3.8181  C     
7    C        18.5190  -35.1459   -6.2220  C     
8    O        16.4464  -33.3011   -5.8378  O     
9    O        17.6529  -32.4303   -1.3580  O     
10   O        19.7293  -35.1691   -6.8467  O     
11   O        17.4332  -35.6181   -6.8778  O     
12   C        20.0800  -35.6783   -8.1540  C     
13   C        21.6217  -35.5262   -8.3549  C     
14   C        22.2665  -34.2625   -8.0564  C     
15   C        25.1693  -31.5470   -1.7263  C     
16   C        20.4065  -35.6744   -3.8746  C     
17   C        21.6857  -34.9740   -3.9844  C     
18   C        21.8929  -33.7970   -4.8084  C     
19   C        22.3778  -32.5256   -4.0499  C     
20   C        23.9093  -32.4162   -3.7525  C     
21   C        24.3282  -32.6159   -2.2559  C     
22   O        22.6966  -35.5399   -3.5521  O     
23   C        19.6527  -37.1556   -8.3479  C     
24   Cl       19.9486  -34.2264   -1.2008  Cl    
25   C        26.4645  -31.3987   -2.0188  C     
26   C        21.7043  -33.0492   -7.9567  C     
27   H        16.2626  -32.2860   -3.4924  H     
28   H        16.0437  -32.4351   -5.6390  H     
29   H        18.3454  -31.7297   -1.3452  H     
30   H        19.5672  -35.0668   -8.9119  H     
31   H        22.1053  -36.2910   -7.7487  H     
32   H        21.8494  -35.7446   -9.3993  H     
33   H        23.2568  -34.3082   -7.9127  H     
34   H        24.7492  -30.8687   -1.1268  H     
35   H        20.3838  -36.2954   -2.9667  H     
36   H        20.3388  -36.3897   -4.6893  H     
37   H        22.5875  -34.0368   -5.6171  H     
38   H        20.9460  -33.5222   -5.2782  H     
39   H        22.1253  -31.6652   -4.6906  H     
40   H        21.7994  -32.4012   -3.1394  H     
41   H        24.4722  -33.1097   -4.3776  H     
42   H        24.2252  -31.4113   -4.0635  H     
43   H        24.8558  -33.5701   -2.1513  H     
44   H        23.4358  -32.6744   -1.6238  H     
45   H        20.0580  -37.7747   -7.5422  H     
46   H        20.0152  -37.5375   -9.3092  H     
47   H        18.5642  -37.2416   -8.3430  H     
48   H        26.9691  -30.6226   -1.6590  H     
49   H        26.9366  -32.0383   -2.6141  H     
50   H        22.2674  -32.2481   -7.7778  H     
51   H        20.7245  -32.9307   -8.0757  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   24 1
    11    6   16 1
    12    7   10 1
    13    7   11 2
    14   10   12 1
    15   12   13 1
    16   12   23 1
    17   13   14 1
    18   14   26 2
    19   15   21 1
    20   15   25 2
    21   16   17 1
    22   17   18 1
    23   17   22 2
    24   18   19 1
    25   19   20 1
    26   20   21 1
    27    3   27 1
    28    8   28 1
    29    9   29 1
    30   12   30 1
    31   13   31 1
    32   13   32 1
    33   14   33 1
    34   15   34 1
    35   16   35 1
    36   16   36 1
    37   18   37 1
    38   18   38 1
    39   19   39 1
    40   19   40 1
    41   20   41 1
    42   20   42 1
    43   21   43 1
    44   21   44 1
    45   23   45 1
    46   23   46 1
    47   23   47 1
    48   25   48 1
    49   25   49 1
    50   26   50 1
    51   26   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.0756
  Crash		| -1.5171
  Polar		| 1.4729
  FragIndex	| 1
  FragRMSD	| 0.810