@<TRIPOS>MOLECULE
BindingDB_68261
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.3751  -34.4327   -4.7305  C     
2    C        17.2493  -33.5719   -4.6899  C     
3    C        16.9837  -32.8135   -3.5370  C     
4    C        17.8129  -32.9152   -2.4095  C     
5    C        18.9225  -33.7933   -2.4216  C     
6    C        19.2425  -34.5427   -3.5951  C     
7    C        18.6038  -35.1244   -5.9335  C     
8    O        16.4355  -33.4345   -5.7732  O     
9    O        17.5298  -32.1685   -1.2977  O     
10   O        19.5905  -34.7006   -6.7629  O     
11   O        17.7433  -36.1034   -6.3265  O     
12   C        19.8842  -35.2238   -8.0637  C     
13   C        20.9928  -34.4058   -8.7618  C     
14   C        22.2127  -34.3507   -7.9811  C     
15   C        22.6682  -33.2235   -7.4062  C     
16   C        20.4456  -35.4387   -3.6008  C     
17   C        21.7143  -34.7316   -3.4632  C     
18   C        22.1483  -33.6865   -4.3812  C     
19   C        23.7332  -33.2139   -6.4163  C     
20   O        22.4819  -35.0556   -2.5658  O     
21   Cl       19.8237  -33.9233   -0.9858  Cl    
22   C        23.4347  -34.0896   -5.1669  C     
23   H        16.1807  -32.1822   -3.5108  H     
24   H        15.8730  -32.6518   -5.6221  H     
25   H        16.9689  -31.4202   -1.6040  H     
26   H        20.1750  -36.2760   -7.9866  H     
27   H        18.9783  -35.1631   -8.6767  H     
28   H        21.2218  -34.8625   -9.7220  H     
29   H        20.6077  -33.4030   -8.9610  H     
30   H        22.6812  -35.2119   -7.8014  H     
31   H        22.2102  -32.3613   -7.5957  H     
32   H        20.3247  -36.1652   -2.7905  H     
33   H        20.5180  -36.0363   -4.5120  H     
34   H        21.3474  -33.4657   -5.0852  H     
35   H        22.3412  -32.7716   -3.8184  H     
36   H        24.6532  -33.5705   -6.8867  H     
37   H        23.9123  -32.1844   -6.0868  H     
38   H        24.2917  -34.0248   -4.4895  H     
39   H        23.3550  -35.1348   -5.4832  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   21 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   19 1
    19   16   17 1
    20   17   18 1
    21   17   20 2
    22   18   22 1
    23   19   22 1
    24    3   23 1
    25    8   24 1
    26    9   25 1
    27   12   26 1
    28   12   27 1
    29   13   28 1
    30   13   29 1
    31   14   30 1
    32   15   31 1
    33   16   32 1
    34   16   33 1
    35   18   34 1
    36   18   35 1
    37   19   36 1
    38   19   37 1
    39   22   38 1
    40   22   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.2694
  Crash		| -1.6715
  Polar		| 1.5267
  FragIndex	| 1
  FragRMSD	| 0.851