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


@<TRIPOS>ATOM
1    C        18.6576   -2.9620   -5.0213  C     
2    C        19.6534   -3.9663   -5.1398  C     
3    C        19.9476   -4.8056   -4.0575  C     
4    C        19.2742   -4.6624   -2.8380  C     
5    C        18.2834   -3.6661   -2.6928  C     
6    C        17.9450   -2.8012   -3.7863  C     
7    C        18.4475   -2.1326   -6.1501  C     
8    O        20.3344   -4.1605   -6.3092  O     
9    O        19.6328   -5.5073   -1.8308  O     
10   O        17.2196   -2.0178   -6.7200  O     
11   O        19.5144   -1.5108   -6.7083  O     
12   C        16.8527   -1.2709   -7.8938  C     
13   C        16.3104   -2.2400   -8.9841  C     
14   C        15.3219   -3.2016   -8.5209  C     
15   C        11.3860   -2.9805   -1.3752  C     
16   C        16.8871   -1.7439   -3.5819  C     
17   C        15.5576   -2.2559   -3.2340  C     
18   C        14.5688   -1.5005   -2.4763  C     
19   C        14.2724   -2.1188   -1.0784  C     
20   C        13.1012   -1.4683   -0.2871  C     
21   C        11.6726   -1.6500   -0.8703  C     
22   O        15.2085   -3.3499   -3.6625  O     
23   C        15.8643   -0.1500   -7.4944  C     
24   Cl       17.5404   -3.5309   -1.1725  Cl    
25   C        11.4862   -4.0899   -0.6227  C     
26   C        15.0523   -4.3365   -9.1776  C     
27   H        20.6526   -5.5399   -4.1601  H     
28   H        21.1185   -4.7110   -6.1034  H     
29   H        19.0984   -5.2829   -1.0441  H     
30   H        17.7274   -0.7723   -8.3202  H     
31   H        15.8808   -1.6567   -9.8053  H     
32   H        17.1716   -2.7846   -9.3860  H     
33   H        14.8330   -3.0285   -7.6750  H     
34   H        11.1077   -3.0785   -2.3277  H     
35   H        17.2393   -1.0785   -2.7864  H     
36   H        16.7652   -1.0957   -4.4521  H     
37   H        14.9034   -0.4733   -2.3299  H     
38   H        13.6407   -1.4492   -3.0557  H     
39   H        14.0715   -3.1896   -1.1860  H     
40   H        15.1707   -2.0260   -0.4660  H     
41   H        13.1108   -1.8992    0.7204  H     
42   H        13.2935   -0.3968   -0.1756  H     
43   H        11.5290   -0.9126   -1.6695  H     
44   H        10.9400   -1.4146   -0.0935  H     
45   H        14.9557   -0.5592   -7.0557  H     
46   H        15.5954    0.4472   -8.3679  H     
47   H        16.3333    0.5094   -6.7614  H     
48   H        11.2284   -4.9736   -0.9938  H     
49   H        11.7616   -4.0324    0.3265  H     
50   H        14.3872   -4.9774   -8.8158  H     
51   H        15.5116   -4.5596  -10.0269  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	| 5.8569
  Crash		| -1.2541
  Polar		| 1.4981
  FragIndex	| 1
  FragRMSD	| 0.746