@<TRIPOS>MOLECULE
BindingDB_14775
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.5234   -3.6780   58.4868  C     
2    C         5.8866   -3.5663   57.1213  C     
3    C         6.6139   -2.4556   56.6134  C     
4    C         7.0128   -1.4652   57.5475  C     
5    C         6.7006   -1.5808   58.9137  C     
6    C         5.9774   -2.6898   59.3874  C     
7    O         5.6832   -2.7672   60.7234  O     
8    O         4.7546   -4.6923   59.0225  O     
9    C         6.6631   -3.4975   61.4797  C     
10   C         6.8902   -2.3393   55.2383  C     
11   O         6.6409   -3.2770   54.4861  O     
12   N         7.3390   -1.2041   54.7073  N     
13   C         7.4683   -0.9266   53.3751  C     
14   C         8.8126   -0.6424   51.3636  C     
15   C         6.5273    0.0034   51.3277  C     
16   C         6.3568   -0.4022   52.6662  C     
17   C         8.7174   -1.0426   52.7132  C     
18   Cl       10.1202   -1.5930   53.4836  Cl    
19   Cl        4.8031   -0.3212   53.3428  Cl    
20   N         7.7313   -0.1246   50.7263  N     
21   C         3.8405   -5.4758   58.2135  C     
22   C         3.0202   -6.4003   59.1381  C     
23   C         1.7586   -5.6003   59.5351  C     
24   C         1.6876   -4.3858   58.5864  C     
25   C         2.7395   -4.6578   57.4988  C     
26   H         5.5815   -4.2984   56.4804  H     
27   H         7.5497   -0.6463   57.2527  H     
28   H         7.0066   -0.8538   59.5668  H     
29   H         6.7391   -4.5299   61.1384  H     
30   H         6.3482   -3.5070   62.5216  H     
31   H         7.6440   -3.0244   61.4260  H     
32   H         7.4377   -0.4484   55.3061  H     
33   H         9.6924   -0.7118   50.8512  H     
34   H         5.7488    0.4021   50.7951  H     
35   H         4.4064   -6.0876   57.5054  H     
36   H         2.7233   -7.2999   58.5885  H     
37   H         3.5988   -6.7116   60.0130  H     
38   H         0.8647   -6.2195   59.4317  H     
39   H         1.8260   -5.2629   60.5703  H     
40   H         0.6891   -4.2659   58.1529  H     
41   H         1.9491   -3.4705   59.1294  H     
42   H         3.1133   -3.7282   57.0671  H     
43   H         2.2940   -5.2567   56.6968  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    8 1
     4    2    3 2
     5    3    4 1
     6    3   10 1
     7    4    5 2
     8    5    6 1
     9    6    7 1
    10    7    9 1
    11    8   21 1
    12   10   11 2
    13   10   12 am
    14   12   13 1
    15   13   16 2
    16   13   17 1
    17   14   17 2
    18   14   20 1
    19   15   16 1
    20   15   20 2
    21   16   19 1
    22   17   18 1
    23   21   22 1
    24   21   25 1
    25   22   23 1
    26   23   24 1
    27   24   25 1
    28    2   26 1
    29    4   27 1
    30    5   28 1
    31    9   29 1
    32    9   30 1
    33    9   31 1
    34   12   32 1
    35   14   33 1
    36   15   34 1
    37   21   35 1
    38   22   36 1
    39   22   37 1
    40   23   38 1
    41   23   39 1
    42   24   40 1
    43   24   41 1
    44   25   42 1
    45   25   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7933
  Crash		| -0.5431
  Polar		| 1.2101
  FragIndex	| 1
  FragRMSD	| 0.215