@<TRIPOS>MOLECULE
BindingDB_10887
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.0450    6.1624   12.4513  C     
2    O        -5.4343    5.5112   13.6693  O     
3    C        -4.8578    4.1928   13.9052  C     
4    C        -3.4152    4.0130   13.3569  C     
5    C        -3.5289    6.4767   12.4869  C     
6    C        -2.6776    5.3485   13.1064  C     
7    O        -3.3043    7.6228   13.3218  O     
8    O        -2.2234    5.8803   14.3516  O     
9    O        -3.6057    3.2658   12.1649  O     
10   O        -5.6775    3.2590   13.1953  O     
11   C        -4.5035    1.1143   13.0714  C     
12   C        -4.7950    2.4765   12.3814  C     
13   C        -5.4603    2.2406   11.0066  C     
14   C        -2.2023    7.3027   14.1831  C     
15   C        -2.4483    7.9696   15.5638  C     
16   C        -0.8548    7.7872   13.5767  C     
17   C        -4.9417    3.9270   15.4378  C     
18   O        -6.0230    3.0538   15.7545  O     
19   S        -5.9169    1.8590   16.9578  S     
20   N        -6.6364    2.4664   18.3535  N     
21   O        -6.6869    0.4075   16.5348  O     
22   O        -4.3143    1.4639   17.2803  O     
23   H        -5.2715    5.5348   11.5843  H     
24   H        -5.6116    7.0888   12.3430  H     
25   H        -2.7899    3.3963   14.0129  H     
26   H        -3.1781    6.7148   11.4791  H     
27   H        -1.8006    5.1468   12.4814  H     
28   H        -3.8060    0.5237   12.4730  H     
29   H        -5.4237    0.5406   13.1967  H     
30   H        -4.0641    1.2551   14.0593  H     
31   H        -5.6513    3.1932   10.5103  H     
32   H        -6.4102    1.7095   11.1165  H     
33   H        -4.7927    1.6499   10.3726  H     
34   H        -2.5861    9.0464   15.4430  H     
35   H        -1.5988    7.7973   16.2284  H     
36   H        -3.3441    7.5546   16.0296  H     
37   H        -0.6986    7.3578   12.5849  H     
38   H        -0.0202    7.4870   14.2125  H     
39   H        -0.8489    8.8752   13.4752  H     
40   H        -3.9945    3.4956   15.7937  H     
41   H        -5.0895    4.8807   15.9549  H     
42   H        -6.8816    1.8656   19.0772  H     
43   H        -6.6043    3.4248   18.5091  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    2    3 1
     4    3    4 1
     5    3   10 1
     6    3   17 1
     7    4    6 1
     8    4    9 1
     9    5    6 1
    10    5    7 1
    11    6    8 1
    12    7   14 1
    13    8   14 1
    14    9   12 1
    15   10   12 1
    16   11   12 1
    17   12   13 1
    18   14   15 1
    19   14   16 1
    20   17   18 1
    21   18   19 1
    22   19   20 am
    23   19   21 2
    24   19   22 2
    25    1   23 1
    26    1   24 1
    27    4   25 1
    28    5   26 1
    29    6   27 1
    30   11   28 1
    31   11   29 1
    32   11   30 1
    33   13   31 1
    34   13   32 1
    35   13   33 1
    36   15   34 1
    37   15   35 1
    38   15   36 1
    39   16   37 1
    40   16   38 1
    41   16   39 1
    42   17   40 1
    43   17   41 1
    44   20   42 1
    45   20   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7313
  Crash		| -1.0422
  Polar		| 3.6007
  FragIndex	| 1
  FragRMSD	| 1.059