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


@<TRIPOS>ATOM
1    C        -8.1899   52.6317   15.7494  C     
2    C        -8.6940   50.8139   14.1964  C     
3    C        -9.4066   50.6776   13.0263  C     
4    C        -8.8370   52.1402   14.6016  C     
5    N        -9.6439   52.7491   13.7301  N     
6    C        -9.9867   51.8869   12.7970  C     
7    O       -10.7405   52.1926   11.8813  O     
8    N       -10.1201   49.4974   11.1081  N     
9    C       -10.0657   48.5435   10.1350  C     
10   C       -10.1546   46.6187    8.0310  C     
11   C        -9.1701   46.5380    9.0356  C     
12   C        -9.1242   47.4878   10.0719  C     
13   C       -11.0451   48.6170    9.1221  C     
14   C       -11.0941   47.6665    8.0858  C     
15   O       -11.4374   45.5741    5.7451  O     
16   S       -10.2331   45.4116    6.7680  S     
17   O        -8.9256   45.6653    5.9046  O     
18   C        -7.4076   51.7444   16.5198  C     
19   C        -9.4141   49.5786   12.2393  C     
20   N       -10.1472   43.8221    7.3273  N     
21   C        -7.2870   50.3914   16.1366  C     
22   C        -7.9245   49.9174   14.9697  C     
23   C       -10.9441   43.2977    8.2864  C     
24   N       -11.9157   43.9852    8.9160  N     
25   N       -10.7433   42.0200    8.6367  N     
26   H        -8.2740   53.6121   16.0082  H     
27   H        -9.9265   53.6779   13.7714  H     
28   H       -10.7896   50.1816   10.9728  H     
29   H        -8.4779   45.7888    9.0188  H     
30   H        -8.3842   47.4065   10.7745  H     
31   H       -11.7481   49.3606    9.1355  H     
32   H       -11.8227   47.7439    7.3752  H     
33   H        -6.9428   52.0818   17.3649  H     
34   H        -8.8969   48.7864   12.5344  H     
35   H        -9.4793   43.2428    6.9304  H     
36   H        -6.7221   49.7541   16.7004  H     
37   H        -7.8369   48.9337   14.7042  H     
38   H       -12.4489   43.5570    9.6064  H     
39   H       -11.2945   41.6136    9.3259  H     
40   H       -10.0544   41.5018    8.1946  H     
41   H       -12.0921   44.9138    8.6952  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	| 7.1924
  Crash		| -0.8275
  Polar		| 2.8220
  FragIndex	| 1
  FragRMSD	| 0.385