@<TRIPOS>MOLECULE
BindingDB_8054
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -0.0838    8.2950   24.3395  C     
2    C        -0.6515    6.1334   24.8939  C     
3    C         0.2284    6.3465   25.9809  C     
4    N        -0.7997    7.1862   24.0456  N     
5    C        -1.3615    4.8819   24.5778  C     
6    S         0.7946    7.9614   25.7698  S     
7    C         0.7121    5.5086   27.0202  C     
8    C         0.1710    4.2529   27.3822  C     
9    C         0.8289    3.4900   28.3610  C     
10   C         2.4541    5.2081   28.6380  C     
11   N         1.8272    5.9451   27.6900  N     
12   N         1.9431    3.9891   28.9617  N     
13   N         3.5859    5.6178   29.2644  N     
14   C         4.2931    6.7739   29.1064  C     
15   C         5.5267    8.5446   30.2809  C     
16   C         4.8677    7.3071   30.2851  C     
17   C         4.5306    7.4624   27.8796  C     
18   C         5.1970    8.7010   27.8639  C     
19   C         5.6545    9.2678   29.0727  C     
20   O         6.2014   10.5042   29.0849  O     
21   N         0.0125    9.4658   23.6755  N     
22   C        -0.6740    9.7379   22.4614  C     
23   H        -0.6444    4.0562   24.5591  H     
24   H        -1.8526    4.9223   23.6032  H     
25   H        -2.1204    4.6901   25.3326  H     
26   H        -0.6765    3.8718   26.9686  H     
27   H         0.4760    2.5604   28.6340  H     
28   H         3.9590    5.0025   29.9164  H     
29   H         5.8949    8.9324   31.1514  H     
30   H         4.7904    6.7960   31.1686  H     
31   H         4.2302    7.0517   26.9869  H     
32   H         5.3222    9.1973   26.9728  H     
33   H         5.8588   10.9154   29.9140  H     
34   H         0.5835   10.1628   24.0495  H     
35   H        -0.3662    9.0323   21.6791  H     
36   H        -0.4276   10.7467   22.1377  H     
37   H        -1.7473    9.6596   22.6152  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    1   21 1
     4    2    3 2
     5    2    4 1
     6    2    5 1
     7    3    6 1
     8    3    7 1
     9    7    8 1
    10    7   11 2
    11    8    9 2
    12    9   12 1
    13   10   11 1
    14   10   12 2
    15   10   13 1
    16   13   14 1
    17   14   16 1
    18   14   17 2
    19   15   16 2
    20   15   19 1
    21   17   18 1
    22   18   19 2
    23   19   20 1
    24   21   22 1
    25    5   23 1
    26    5   24 1
    27    5   25 1
    28    8   26 1
    29    9   27 1
    30   13   28 1
    31   15   29 1
    32   16   30 1
    33   17   31 1
    34   18   32 1
    35   20   33 1
    36   21   34 1
    37   22   35 1
    38   22   36 1
    39   22   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.5254
  Crash		| -1.9682
  Polar		| 2.5916
  FragIndex	| 1
  FragRMSD	| 0.507