@<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

@<TRIPOS>MOLECULE
BindingDB_8061
 35 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -0.0638    8.1848   24.2066  C     
2    C        -0.6380    6.0775   24.9116  C     
3    C         0.2672    6.3508   25.9642  C     
4    N        -0.7938    7.0762   23.9973  N     
5    C        -1.3785    4.8264   24.6936  C     
6    S         0.8538    7.9436   25.6360  S     
7    C         0.7551    5.5675   27.0419  C     
8    C         0.2121    4.3274   27.4556  C     
9    C         0.8709    3.6090   28.4675  C     
10   C         2.5005    5.3284   28.6586  C     
11   N         1.8752    6.0390   27.6872  N     
12   N         1.9880    4.1295   29.0395  N     
13   N         3.6396    5.7525   29.2513  N     
14   C         4.3768    6.8767   29.0140  C     
15   C         5.2685    8.6874   27.6132  C     
16   C         4.5287    7.5003   27.7482  C     
17   C         5.0721    7.4361   30.1136  C     
18   C         5.8267    8.6351   30.0041  C     
19   C         5.9016    9.2577   28.7313  C     
20   N         6.4562    9.1836   31.0897  N     
21   O         7.1334   10.3032   31.0172  O     
22   O         6.4259    8.6800   32.1891  O     
23   N        -0.0557    9.2655   23.4117  N     
24   H        -0.6854    3.9842   24.6934  H     
25   H        -1.9036    4.8320   23.7325  H     
26   H        -2.1257    4.6909   25.4791  H     
27   H        -0.6355    3.9229   27.0560  H     
28   H         0.5108    2.6985   28.7872  H     
29   H         4.0060    5.1561   29.9215  H     
30   H         5.3662    9.1245   26.6958  H     
31   H         4.1161    7.0744   26.9126  H     
32   H         4.9952    6.9660   31.0243  H     
33   H         6.4423   10.1147   28.6104  H     
34   H         0.5161   10.0236   23.6156  H     
35   H        -0.6077    9.2745   22.6081  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    1   23 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   18   20 am
    24   20   21 1
    25   20   22 2
    26    5   24 1
    27    5   25 1
    28    5   26 1
    29    8   27 1
    30    9   28 1
    31   13   29 1
    32   15   30 1
    33   16   31 1
    34   17   32 1
    35   19   33 1
    36   23   34 1
    37   23   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.0101
  Crash		| -1.3136
  Polar		| 1.6747
  FragIndex	| 1
  FragRMSD	| 0.215