@<TRIPOS>MOLECULE
BindingDB_7732
 39 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -7.8965   49.6274   14.9927  C     
2    C        -7.1760   50.1293   16.0977  C     
3    C        -7.9565   52.3957   15.6061  C     
4    C        -8.6296   50.5208   14.1859  C     
5    C        -9.3433   50.3603   13.0189  C     
6    C        -8.6825   51.8737   14.5175  C     
7    N        -9.4681   52.4709   13.6172  N     
8    C        -9.8580   51.5812   12.7251  C     
9    O       -10.5867   51.8798   11.7881  O     
10   N        -9.9142   49.1151   11.0830  N     
11   C        -9.8165   48.0760   10.2075  C     
12   C        -9.6402   46.0791    8.1818  C     
13   C        -9.0343   45.8778    9.4385  C     
14   C        -9.1248   46.8588   10.4411  C     
15   C       -10.4510   48.2555    8.9546  C     
16   C       -10.3615   47.2663    7.9520  C     
17   O       -10.8988   44.4859    6.3722  O     
18   S        -9.4568   44.9004    6.9090  S     
19   O        -8.7251   45.5800    5.6730  O     
20   N        -8.6135   43.5052    7.3237  N     
21   C        -7.1645   51.5197   16.3849  C     
22   C        -6.3359   52.0275   17.5063  C     
23   O        -5.0267   51.4609   17.5137  O     
24   C        -9.3647   49.2237   12.2980  C     
25   H        -7.8616   48.6251   14.7865  H     
26   H        -6.6370   49.4779   16.6683  H     
27   H        -7.9925   53.4033   15.7975  H     
28   H        -9.7264   53.4122   13.6157  H     
29   H       -10.4116   49.8862   10.7683  H     
30   H        -8.5093   45.0228    9.6319  H     
31   H        -8.6606   46.6728   11.3320  H     
32   H       -10.9741   49.1165    8.7510  H     
33   H       -10.8204   47.4303    7.0543  H     
34   H        -9.0699   42.6453    7.3290  H     
35   H        -7.7431   43.5926    7.7378  H     
36   H        -6.2253   53.1077   17.4761  H     
37   H        -6.8231   51.7493   18.4445  H     
38   H        -4.7941   51.3342   16.5698  H     
39   H        -8.8998   48.4314   12.6729  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 2
     3    2   21 2
     4    3    6 2
     5    3   21 1
     6    4    5 1
     7    4    6 1
     8    5    8 1
     9    5   24 2
    10    6    7 1
    11    7    8 1
    12    8    9 2
    13   10   11 1
    14   10   24 1
    15   11   14 2
    16   11   15 1
    17   12   13 2
    18   12   16 1
    19   12   18 1
    20   13   14 1
    21   15   16 2
    22   17   18 2
    23   18   19 2
    24   18   20 am
    25   21   22 1
    26   22   23 1
    27    1   25 1
    28    2   26 1
    29    3   27 1
    30    7   28 1
    31   10   29 1
    32   13   30 1
    33   14   31 1
    34   15   32 1
    35   16   33 1
    36   20   34 1
    37   20   35 1
    38   22   36 1
    39   22   37 1
    40   23   38 1
    41   24   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3469
  Crash		| -1.0888
  Polar		| 3.1573
  FragIndex	| 1
  FragRMSD	| 0.893