@<TRIPOS>MOLECULE
BindingDB_50186228
 82 84 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.9918   -4.1702   26.3936  C     
2    C        -2.0522   -3.3310   25.2519  C     
3    C        -1.4182   -2.0671   25.2152  C     
4    C        -0.6743   -1.6746   26.3607  C     
5    C        -0.5973   -2.4799   27.5205  C     
6    C        -1.2747   -3.7184   27.5261  C     
7    C        -1.5244   -1.2382   24.0861  C     
8    N        -0.9501   -0.0551   23.9802  N     
9    O        -2.1893   -1.5666   23.1131  O     
10   C         0.1710   -2.0895   28.7434  C     
11   N         1.3793   -1.3464   28.5446  N     
12   C         1.4751   -0.0556   28.2577  C     
13   C         4.0046    2.5219   27.7596  C     
14   C         4.2071    3.0599   26.4773  C     
15   C         5.4343    3.6489   26.1426  C     
16   C         6.4577    3.7762   27.1070  C     
17   C         6.2376    3.2892   28.4228  C     
18   C         5.0109    2.6454   28.7446  C     
19   Cl        4.7098    2.0043   30.2883  Cl    
20   Cl        7.4440    3.4376   29.6153  Cl    
21   C         7.6322    4.4139   26.7246  C     
22   O         7.8439    5.5557   27.1120  O     
23   C         8.5829    3.7774   25.9895  C     
24   C         9.1958    2.5662   26.5308  C     
25   C         8.9658    4.2878   24.8014  C     
26   C        10.2067    2.8771   27.6604  C     
27   O         2.7885    1.9447   28.0296  O     
28   C         2.7904    0.5001   27.9683  C     
29   O         0.4887    0.6676   28.2443  O     
30   C        -2.7112   -5.4698   26.4020  C     
31   N        -4.1130   -5.2214   26.2569  N     
32   C        -5.0945   -6.0344   26.6256  C     
33   C        -6.4641   -5.5374   26.7137  C     
34   O        -4.8539   -7.1543   27.0701  O     
35   O        -7.3228   -5.7097   25.5584  O     
36   C        -6.8470   -5.2964   24.3446  C     
37   C        -6.7963   -3.9484   23.8926  C     
38   C        -6.2346   -3.6383   22.6356  C     
39   C        -5.7915   -4.6802   21.7600  C     
40   C        -5.9504   -6.0190   22.1921  C     
41   C        -6.4563   -6.3184   23.4593  C     
42   Cl       -7.4433   -2.7272   24.8969  Cl    
43   Cl       -6.1571   -2.0039   22.1354  Cl    
44   C        -5.2475   -4.4450   20.5001  C     
45   C        -5.6747   -5.0814   19.3680  C     
46   O        -4.3587   -3.6152   20.3705  O     
47   C        -4.9399   -6.1990   18.7633  C     
48   C        -6.8000   -4.6321   18.7607  C     
49   C        -3.6235   -6.6705   19.4387  C     
50   H        -2.5820   -3.6582   24.4376  H     
51   H        -0.1866   -0.7779   26.3861  H     
52   H        -1.2315   -4.3184   28.3595  H     
53   H        -1.0642    0.4716   23.1706  H     
54   H        -0.4047    0.2969   24.7001  H     
55   H        -0.4761   -1.5390   29.4235  H     
56   H         0.4724   -3.0048   29.2499  H     
57   H         2.2106   -1.8441   28.5922  H     
58   H         3.4664    3.0016   25.7790  H     
59   H         5.5582    4.0070   25.1920  H     
60   H         8.4256    1.8996   26.9272  H     
61   H         9.7147    1.9969   25.7527  H     
62   H         9.6797    3.8553   24.2675  H     
63   H         8.5486    5.1091   24.4324  H     
64   H        11.0888    3.3768   27.2513  H     
65   H        10.5188    1.9510   28.1424  H     
66   H         9.7623    3.5154   28.4253  H     
67   H         3.5245    0.1028   28.6850  H     
68   H         3.0669    0.1586   26.9656  H     
69   H        -2.3728   -6.0737   25.5582  H     
70   H        -2.5058   -6.0522   27.3060  H     
71   H        -4.3539   -4.3261   25.9770  H     
72   H        -6.9735   -6.0531   27.5413  H     
73   H        -6.4160   -4.4817   26.9842  H     
74   H        -5.6532   -6.7954   21.5910  H     
75   H        -6.5259   -7.2959   23.7489  H     
76   H        -5.6052   -7.0745   18.7275  H     
77   H        -4.6967   -5.9341   17.7256  H     
78   H        -7.1383   -5.0500   17.9214  H     
79   H        -7.3301   -3.8782   19.1357  H     
80   H        -2.8701   -5.8793   19.4218  H     
81   H        -3.2212   -7.5360   18.9110  H     
82   H        -3.8150   -6.9556   20.4748  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   30 1
     4    2    3 1
     5    3    4 2
     6    3    7 1
     7    4    5 1
     8    5    6 2
     9    5   10 1
    10    7    8 am
    11    7    9 2
    12   10   11 1
    13   11   12 am
    14   12   28 1
    15   12   29 2
    16   13   14 2
    17   13   18 1
    18   13   27 1
    19   14   15 1
    20   15   16 2
    21   16   17 1
    22   16   21 1
    23   17   18 2
    24   17   20 1
    25   18   19 1
    26   21   22 2
    27   21   23 1
    28   23   24 1
    29   23   25 2
    30   24   26 1
    31   27   28 1
    32   30   31 1
    33   31   32 am
    34   32   33 1
    35   32   34 2
    36   33   35 1
    37   35   36 1
    38   36   37 2
    39   36   41 1
    40   37   38 1
    41   37   42 1
    42   38   39 2
    43   38   43 1
    44   39   40 1
    45   39   44 1
    46   40   41 2
    47   44   45 1
    48   44   46 2
    49   45   47 1
    50   45   48 2
    51   47   49 1
    52    2   50 1
    53    4   51 1
    54    6   52 1
    55    8   53 1
    56    8   54 1
    57   10   55 1
    58   10   56 1
    59   11   57 1
    60   14   58 1
    61   15   59 1
    62   24   60 1
    63   24   61 1
    64   25   62 1
    65   25   63 1
    66   26   64 1
    67   26   65 1
    68   26   66 1
    69   28   67 1
    70   28   68 1
    71   30   69 1
    72   30   70 1
    73   31   71 1
    74   33   72 1
    75   33   73 1
    76   40   74 1
    77   41   75 1
    78   47   76 1
    79   47   77 1
    80   48   78 1
    81   48   79 1
    82   49   80 1
    83   49   81 1
    84   49   82 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.5327
  Crash		| -1.8688
  Polar		| 2.3414
  FragIndex	| 1
  FragRMSD	| 1.194