@<TRIPOS>MOLECULE
BindingDB_8066
 42 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.3073   45.6027    1.0083  C     
2    C         6.5715   47.5264    1.0196  C     
3    C         5.3934   48.1146    1.5300  C     
4    N         6.4870   46.1983    0.7484  N     
5    C         7.8419   48.2133    0.7264  C     
6    S         4.2619   46.8219    1.6240  S     
7    C         5.0503   49.4452    1.9068  C     
8    C         5.8800   50.5798    1.8590  C     
9    C         5.3365   51.8438    2.1552  C     
10   C         3.2247   50.8647    2.6134  C     
11   N         3.7582   49.6588    2.2810  N     
12   N         4.0264   51.9529    2.5118  N     
13   N         1.9184   51.0435    2.9191  N     
14   C         0.9916   50.0524    3.0554  C     
15   C        -1.2078   49.1916    2.4461  C     
16   C        -0.2502   50.2075    2.4146  C     
17   C         1.2256   48.8764    3.8115  C     
18   C         0.2907   47.8432    3.8076  C     
19   C        -0.9446   47.9580    3.1111  C     
20   C         4.9907   44.1952    0.7805  C     
21   N        -1.8666   46.9595    3.1584  N     
22   C        -3.1176   47.1866    3.8721  C     
23   C        -1.5778   45.6645    2.5625  C     
24   H         7.6868   49.0004   -0.0142  H     
25   H         8.5849   47.5153    0.3270  H     
26   H         8.2409   48.6362    1.6447  H     
27   H         6.8644   50.5274    1.6251  H     
28   H         5.9194   52.6892    2.0878  H     
29   H         1.5927   51.9535    2.9548  H     
30   H        -2.0701   49.3150    1.9008  H     
31   H        -0.4489   51.0734    1.8987  H     
32   H         2.0637   48.7692    4.3718  H     
33   H         0.4983   47.0143    4.3668  H     
34   H         5.1908   43.9390   -0.2626  H     
35   H         3.9452   43.9864    1.0026  H     
36   H         5.6164   43.5768    1.4296  H     
37   H        -2.8886   47.4830    4.8998  H     
38   H        -3.7607   46.2973    3.9271  H     
39   H        -3.7056   47.9786    3.4005  H     
40   H        -1.6095   45.7671    1.4785  H     
41   H        -2.2839   44.8771    2.8557  H     
42   H        -0.5893   45.2863    2.8280  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    1   20 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   21 1
    24   21   22 1
    25   21   23 1
    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   18   33 1
    36   20   34 1
    37   20   35 1
    38   20   36 1
    39   22   37 1
    40   22   38 1
    41   22   39 1
    42   23   40 1
    43   23   41 1
    44   23   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.9566
  Crash		| -1.6026
  Polar		| 2.2122
  FragIndex	| 1
  FragRMSD	| 0.145