@<TRIPOS>MOLECULE
BindingDB_11393
 50 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.7500    4.0319   14.6406  C     
2    C        -2.5557    5.2297   14.0585  C     
3    N        -3.4775    6.2256   13.9838  N     
4    C        -3.0867    7.5789   13.6431  C     
5    C        -1.7974    8.0788   14.3745  C     
6    N        -1.8318    9.5166   14.8214  N     
7    C        -0.8260    9.8215   15.9058  C     
8    C         0.4987   10.5341   15.4793  C     
9    O         1.2560   11.0657   16.5919  O     
10   C         0.5810   12.0476   17.4130  C     
11   C        -1.8465   10.5089   13.6808  C     
12   C        -2.2057   11.9692   14.0810  C     
13   C        -2.6962   14.1219   13.0686  C     
14   O        -2.1138   12.8138   12.9055  O     
15   S        -5.1214    5.8942   14.2337  S     
16   O        -5.7889    6.8686   15.2982  O     
17   O        -5.9510    5.7517   12.8856  O     
18   C        -3.9627    3.6234   15.1768  C     
19   C        -5.1301    4.3733   15.0254  C     
20   C        -4.1741    2.4283   15.8918  C     
21   C        -5.4982    2.2268   16.3145  C     
22   S        -6.4409    3.5601   15.7796  S     
23   N        -7.6959    1.0825   17.7635  N     
24   S        -6.1202    0.8846   17.2092  S     
25   O        -6.0917   -0.4507   16.3487  O     
26   O        -5.2101    0.5838   18.4775  O     
27   H        -1.9839    3.4061   14.6869  H     
28   H        -1.6445    5.4106   13.6951  H     
29   H        -2.9166    7.6282   12.5579  H     
30   H        -3.9020    8.2748   13.8662  H     
31   H        -1.6578    7.4384   15.2599  H     
32   H        -0.9218    7.9183   13.7261  H     
33   H        -2.7411    9.6074   15.2889  H     
34   H        -1.3232   10.4503   16.6487  H     
35   H        -0.5600    8.8993   16.4442  H     
36   H         1.1345    9.8046   14.9781  H     
37   H         0.2852   11.3241   14.7596  H     
38   H         0.2414   12.9020   16.8144  H     
39   H         1.2951   12.4107   18.1554  H     
40   H        -0.2737   11.6086   17.9416  H     
41   H        -0.8777   10.4973   13.1758  H     
42   H        -2.5939   10.2093   12.9375  H     
43   H        -3.2353   11.9874   14.4834  H     
44   H        -1.5044   12.3187   14.8579  H     
45   H        -3.7744   14.0553   13.2579  H     
46   H        -2.5450   14.6743   12.1443  H     
47   H        -2.2214   14.6809   13.8863  H     
48   H        -3.4268    1.7526   16.1031  H     
49   H        -7.8606    1.2689   18.7075  H     
50   H        -8.4345    1.0693   17.1255  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1   18 1
     3    2    3 1
     4    3    4 1
     5    3   15 1
     6    4    5 1
     7    5    6 1
     8    6    7 1
     9    6   11 1
    10    7    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 1
    14   12   14 1
    15   13   14 1
    16   15   16 2
    17   15   17 2
    18   15   19 1
    19   18   19 2
    20   18   20 1
    21   19   22 1
    22   20   21 2
    23   21   22 1
    24   21   24 1
    25   23   24 am
    26   24   25 2
    27   24   26 2
    28    1   27 1
    29    2   28 1
    30    4   29 1
    31    4   30 1
    32    5   31 1
    33    5   32 1
    34    6   33 1
    35    7   34 1
    36    7   35 1
    37    8   36 1
    38    8   37 1
    39   10   38 1
    40   10   39 1
    41   10   40 1
    42   11   41 1
    43   11   42 1
    44   12   43 1
    45   12   44 1
    46   13   45 1
    47   13   46 1
    48   13   47 1
    49   20   48 1
    50   23   49 1
    51   23   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.9573
  Crash		| -3.1164
  Polar		| 4.6589
  FragIndex	| 1
  FragRMSD	| 0.962