@<TRIPOS>MOLECULE
BindingDB_11421
 48 50 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.0812    3.8151   14.7034  C     
2    C        -2.8831    4.9997   14.0724  C     
3    N        -3.7201    6.0651   14.2428  N     
4    S        -5.3030    5.8981   14.8089  S     
5    O        -5.6008    6.7971   16.0934  O     
6    O        -6.4328    5.9849   13.6922  O     
7    C        -4.2338    3.4646   15.3966  C     
8    C        -5.3439    4.3056   15.4706  C     
9    C        -4.4332    2.2185   16.0307  C     
10   C        -5.6988    2.0627   16.5982  C     
11   S        -6.5962    3.5083   16.3276  S     
12   N        -7.9685    0.7416   17.5781  N     
13   S        -6.3015    0.6769   17.4410  S     
14   O        -6.0063   -0.5786   16.5079  O     
15   O        -5.5977    0.5123   18.8569  O     
16   C        -1.7003    5.1447   13.1844  C     
17   C        -0.3755    3.8977   11.3936  C     
18   N        -1.0444    3.8940   12.7378  N     
19   C        -3.3366    7.3658   14.0396  C     
20   C        -2.8164    8.1388   15.1107  C     
21   C        -2.3193    9.4376   14.8740  C     
22   C        -2.3363    9.9683   13.5712  C     
23   C        -2.8759    9.2166   12.5091  C     
24   C        -3.3850    7.9324   12.7477  C     
25   O        -1.8636   10.2304   15.8958  O     
26   C        -0.4802   10.0185   16.2262  C     
27   C         1.0182    4.5747   11.3333  C     
28   O         1.3497    5.3714   12.4719  O     
29   H        -2.3791    3.1240   14.6546  H     
30   H        -3.7219    1.4839   16.0762  H     
31   H        -8.4787   -0.0804   17.5224  H     
32   H        -8.4200    1.5945   17.4688  H     
33   H        -2.0094    5.7021   12.2949  H     
34   H        -0.9556    5.7618   13.7134  H     
35   H        -0.2734    2.8521   11.0972  H     
36   H        -1.0564    4.3651   10.6648  H     
37   H        -0.3489    3.5922   13.4321  H     
38   H        -1.7465    3.1701   12.6636  H     
39   H        -2.7930    7.7443   16.0502  H     
40   H        -1.9718   10.9117   13.3944  H     
41   H        -2.8906    9.6129   11.5672  H     
42   H        -3.7660    7.3947   11.9681  H     
43   H        -0.3516    9.0600   16.7352  H     
44   H        -0.1698   10.8108   16.9133  H     
45   H         0.1703   10.0583   15.3432  H     
46   H         1.7997    3.8172   11.2336  H     
47   H         1.0719    5.2279   10.4499  H     
48   H         1.3074    4.7466   13.2324  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    2   16 1
     5    3    4 1
     6    3   19 1
     7    4    5 2
     8    4    6 2
     9    4    8 1
    10    7    8 2
    11    7    9 1
    12    8   11 1
    13    9   10 2
    14   10   11 1
    15   10   13 1
    16   12   13 am
    17   13   14 2
    18   13   15 2
    19   16   18 1
    20   17   18 1
    21   17   27 1
    22   19   20 2
    23   19   24 1
    24   20   21 1
    25   21   22 2
    26   21   25 1
    27   22   23 1
    28   23   24 2
    29   25   26 1
    30   27   28 1
    31    1   29 1
    32    9   30 1
    33   12   31 1
    34   12   32 1
    35   16   33 1
    36   16   34 1
    37   17   35 1
    38   17   36 1
    39   18   37 1
    40   18   38 1
    41   20   39 1
    42   22   40 1
    43   23   41 1
    44   24   42 1
    45   26   43 1
    46   26   44 1
    47   26   45 1
    48   27   46 1
    49   27   47 1
    50   28   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.9390
  Crash		| -2.5276
  Polar		| 4.8778
  FragIndex	| 1
  FragRMSD	| 1.007