@<TRIPOS>MOLECULE
BindingDB_7765
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -8.1134   52.4465   42.7385  C     
2    C        -8.7155   50.6386   41.2062  C     
3    C        -9.4735   50.5199   40.0667  C     
4    C        -8.8137   51.9688   41.6218  C     
5    N        -9.6238   52.5979   40.7726  N     
6    C       -10.0256   51.7454   39.8553  C     
7    O       -10.7497   52.0791   38.9287  O     
8    N       -10.3025   49.3291   38.1997  N     
9    C       -10.1938   48.4266   37.1882  C     
10   C       -10.1514   46.5199   35.0797  C     
11   C       -11.2304   47.4192   35.2077  C     
12   C       -11.2475   48.3617   36.2494  C     
13   C        -9.0979   47.5409   37.0356  C     
14   C        -9.0705   46.6047   35.9795  C     
15   O       -11.4992   45.2382   32.9778  O     
16   S       -10.1485   45.3173   33.8197  S     
17   O        -9.0342   45.8492   32.8170  O     
18   C        -7.3087   51.5464   43.4633  C     
19   C        -9.5404   49.4191   39.2856  C     
20   N        -9.6264   43.7919   34.3002  N     
21   C        -7.2168   50.1940   43.0674  C     
22   C        -7.9202   49.7329   41.9346  C     
23   C        -9.8010   43.2397   35.5196  C     
24   N        -9.2052   42.0602   35.7595  N     
25   N       -10.5153   43.8002   36.5165  N     
26   H        -8.1763   53.4297   43.0072  H     
27   H        -9.8654   53.5374   40.8206  H     
28   H       -11.0581   49.9451   38.1303  H     
29   H       -12.0166   47.3857   34.5481  H     
30   H       -12.0494   48.9939   36.3299  H     
31   H        -8.3106   47.5772   37.6851  H     
32   H        -8.2628   45.9798   35.8896  H     
33   H        -6.7883   51.8770   44.2804  H     
34   H        -9.0255   48.6096   39.5511  H     
35   H        -9.1106   43.2880   33.6479  H     
36   H        -6.6358   49.5452   43.6010  H     
37   H        -7.8474   48.7538   41.6491  H     
38   H        -9.2930   41.6401   36.6300  H     
39   H       -10.5521   43.3758   37.3887  H     
40   H       -10.9842   44.6353   36.3712  H     
41   H        -8.6769   41.6326   35.0632  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1   18 1
     3    2    3 1
     4    2    4 1
     5    2   22 2
     6    3    6 1
     7    3   19 2
     8    4    5 1
     9    5    6 1
    10    6    7 2
    11    8    9 1
    12    8   19 1
    13    9   12 2
    14    9   13 1
    15   10   11 2
    16   10   14 1
    17   10   16 1
    18   11   12 1
    19   13   14 2
    20   15   16 2
    21   16   17 2
    22   16   20 1
    23   18   21 2
    24   20   23 1
    25   21   22 1
    26   23   24 2
    27   23   25 1
    28    1   26 1
    29    5   27 1
    30    8   28 1
    31   11   29 1
    32   12   30 1
    33   13   31 1
    34   14   32 1
    35   18   33 1
    36   19   34 1
    37   20   35 1
    38   21   36 1
    39   22   37 1
    40   24   38 1
    41   25   39 1
    42   25   40 1
    43   24   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.6894
  Crash		| -0.6706
  Polar		| 4.2134
  FragIndex	| 1
  FragRMSD	| 0.655