@<TRIPOS>MOLECULE
BindingDB_50028911
 66 69 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        28.9808   44.1997   18.0540  C     
2    C        28.5483   55.8555   22.5247  C     
3    C        28.8797   56.5593   23.7178  C     
4    C        28.0515   43.9426   17.0071  C     
5    N        29.5342   44.2423   20.5068  N     
6    N        28.9288   54.0312   20.8065  N     
7    C        29.2272   54.5700   22.1721  C     
8    C        29.0509   43.4214   19.3354  C     
9    C        27.5024   56.3460   21.6950  C     
10   C        29.9251   45.2434   17.8867  C     
11   C        28.1891   57.7500   24.0514  C     
12   C        27.9755   44.8234   15.8962  C     
13   C        29.8001   46.1502   16.8135  C     
14   C        26.8459   57.5481   22.0320  C     
15   C        27.1816   58.2381   23.2024  C     
16   C        28.8105   45.9544   15.8380  C     
17   C        31.1373   45.2454   18.7375  C     
18   C        27.0783   55.6323   20.4623  C     
19   Cl       27.0785   42.5493   17.0425  Cl    
20   Cl       30.0723   55.9626   24.7785  Cl    
21   C        30.8423   44.9171   20.2150  C     
22   C        27.4832   54.1419   20.4545  C     
23   Cl       28.5087   58.6414   25.4618  Cl    
24   Cl       26.9379   44.5708   14.5766  Cl    
25   C        29.5313   52.6837   20.5379  C     
26   C        28.4977   45.1744   21.0788  C     
27   C        28.9944   46.1661   22.1978  C     
28   C        28.9897   51.4901   21.3933  C     
29   C        30.0393   50.8275   22.3344  C     
30   C        30.9147   49.7202   21.6673  C     
31   C        30.6813   48.2524   22.1498  C     
32   C        29.3207   47.6236   21.7098  C     
33   H        29.6952   43.5718   21.2705  H     
34   H        29.4022   54.6646   20.1616  H     
35   H        30.3071   54.7212   22.2170  H     
36   H        28.9561   53.8454   22.9408  H     
37   H        28.0757   42.9976   19.5877  H     
38   H        29.7344   42.5813   19.1868  H     
39   H        30.4686   46.9198   16.6965  H     
40   H        26.1029   57.9211   21.4340  H     
41   H        26.6822   59.1007   23.4309  H     
42   H        28.7605   46.5994   15.0443  H     
43   H        31.7960   44.4663   18.3558  H     
44   H        31.6796   46.1903   18.6614  H     
45   H        25.9943   55.6847   20.3570  H     
46   H        27.5258   56.1382   19.6007  H     
47   H        31.6443   44.2974   20.6140  H     
48   H        30.8908   45.8667   20.7175  H     
49   H        27.2973   53.7397   19.4552  H     
50   H        26.8609   53.5912   21.1654  H     
51   H        29.3788   52.4492   19.4772  H     
52   H        30.6163   52.7715   20.6578  H     
53   H        28.0291   45.7331   20.2645  H     
54   H        27.7125   44.5564   21.5234  H     
55   H        28.2190   46.2337   22.9667  H     
56   H        29.8700   45.7319   22.6863  H     
57   H        28.1578   51.8253   22.0141  H     
58   H        28.5740   50.7411   20.7208  H     
59   H        30.6876   51.6194   22.7237  H     
60   H        29.5266   50.3991   23.1998  H     
61   H        30.7984   49.7586   20.5790  H     
62   H        31.9604   49.9571   21.8739  H     
63   H        31.5385   47.6519   21.7784  H     
64   H        30.7201   48.2385   23.2393  H     
65   H        29.2714   47.6792   20.6197  H     
66   H        28.5278   48.2621   22.0951  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    8 1
     3    1   10 1
     4    2    3 2
     5    2    7 1
     6    2    9 1
     7    3   11 1
     8    3   20 1
     9    4   12 1
    10    4   19 1
    11    5    8 1
    12    5   21 1
    13    5   26 1
    14    6    7 1
    15    6   22 1
    16    6   25 1
    17    9   14 2
    18    9   18 1
    19   10   13 2
    20   10   17 1
    21   11   15 2
    22   11   23 1
    23   12   16 2
    24   12   24 1
    25   13   16 1
    26   14   15 1
    27   17   21 1
    28   18   22 1
    29   25   28 1
    30   26   27 1
    31   27   32 1
    32   28   29 1
    33   29   30 1
    34   30   31 1
    35   31   32 1
    36    5   33 1
    37    6   34 1
    38    7   35 1
    39    7   36 1
    40    8   37 1
    41    8   38 1
    42   13   39 1
    43   14   40 1
    44   15   41 1
    45   16   42 1
    46   17   43 1
    47   17   44 1
    48   18   45 1
    49   18   46 1
    50   21   47 1
    51   21   48 1
    52   22   49 1
    53   22   50 1
    54   25   51 1
    55   25   52 1
    56   26   53 1
    57   26   54 1
    58   27   55 1
    59   27   56 1
    60   28   57 1
    61   28   58 1
    62   29   59 1
    63   29   60 1
    64   30   61 1
    65   30   62 1
    66   31   63 1
    67   31   64 1
    68   32   65 1
    69   32   66 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.5669
  Crash		| -5.4861
  Polar		| 1.9419
  FragIndex	| 1
  FragRMSD	| 1.286