@<TRIPOS>MOLECULE
BindingDB_31096
 62 69 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O         5.0375    3.6853   16.4878  O     
2    O         2.4504    5.0501   14.1774  O     
3    O         8.1679    9.6334   18.8149  O     
4    N         3.5628    5.5762   16.7398  N     
5    N         6.6882    5.3846   16.1727  N     
6    N         4.9418    5.7608   13.0146  N     
7    N         6.1103    9.9686   19.5860  N     
8    C         3.7542    4.2492   16.1185  C     
9    C         3.5477    4.1843   14.5537  C     
10   C         6.2360    4.0711   15.7993  C     
11   C         4.8156    4.4142   13.6527  C     
12   C         6.0899    3.7893   14.2800  C     
13   C         4.5873    6.3780   17.1367  C     
14   C         5.9610    6.3346   16.8134  C     
15   C         4.1381    7.3781   18.0141  C     
16   C         6.8170    7.3778   17.2127  C     
17   C         2.4322    6.0902   17.3553  C     
18   C         2.8419    3.1653   16.7887  C     
19   C         7.9635    5.8576   16.0338  C     
20   C         2.7933    7.1464   18.2093  C     
21   C         5.0219    8.3446   18.5392  C     
22   C         6.3594    8.3605   18.1204  C     
23   C         8.0393    7.1345   16.6006  C     
24   C         4.8045    9.4191   19.5144  C     
25   C         1.0641    5.7397   17.2849  C     
26   C         6.9786    9.3631   18.8068  C     
27   C         1.8697    7.7687   19.0724  C     
28   C         9.0630    5.3349   15.3187  C     
29   C         9.1483    7.9650   16.3543  C     
30   C         5.6441    6.8701   13.6821  C     
31   C         1.8511    4.7698   12.8963  C     
32   C         0.1237    6.3494   18.1417  C     
33   C         0.5304    7.3419   19.0515  C     
34   C        10.1925    6.1471   15.1022  C     
35   C        10.2314    7.4612   15.6086  C     
36   H         5.4241    5.6359   12.1221  H     
37   H         4.0013    6.0877   12.7876  H     
38   H         6.3452   10.7061   20.1688  H     
39   H         3.2545    3.1453   14.3378  H     
40   H         6.9877    3.3713   16.1740  H     
41   H         4.6410    3.7985   12.7609  H     
42   H         6.9739    4.1064   13.7274  H     
43   H         6.0255    2.7010   14.1621  H     
44   H         1.8257    3.1894   16.4066  H     
45   H         2.8163    3.3025   17.8721  H     
46   H         3.2062    2.1543   16.5799  H     
47   H         4.5034    9.0286   20.4870  H     
48   H         4.0911   10.1592   19.1539  H     
49   H         0.7310    5.0590   16.6112  H     
50   H         2.1552    8.5110   19.7121  H     
51   H         9.0275    4.3992   14.9083  H     
52   H         9.1538    8.9372   16.6580  H     
53   H         5.0350    7.1919   14.5149  H     
54   H         5.7294    7.6942   12.9782  H     
55   H         6.6518    6.5894   14.0168  H     
56   H         1.1073    5.5346   12.6865  H     
57   H         1.3579    3.7933   12.9077  H     
58   H         2.5829    4.7924   12.0844  H     
59   H        -0.8607    6.0751   18.0977  H     
60   H        -0.1532    7.7729   19.6778  H     
61   H        10.9691    5.8044   14.5393  H     
62   H        11.0400    8.0584   15.4124  H     
@<TRIPOS>BOND
     1    1    8 1
     2    1   10 1
     3    9    2 1
     4    2   31 1
     5    3   26 2
     6    4    8 1
     7    4   13 1
     8    4   17 1
     9    5   10 1
    10    5   14 1
    11    5   19 1
    12   11    6 1
    13    6   30 1
    14    7   24 1
    15    7   26 1
    16    8    9 1
    17    8   18 1
    18    9   11 1
    19   10   12 1
    20   11   12 1
    21   13   14 2
    22   13   15 1
    23   14   16 1
    24   15   20 1
    25   15   21 2
    26   16   22 2
    27   16   23 1
    28   17   20 1
    29   17   25 2
    30   19   23 1
    31   19   28 2
    32   20   27 2
    33   21   22 1
    34   21   24 1
    35   22   26 1
    36   23   29 2
    37   25   32 1
    38   27   33 1
    39   28   34 1
    40   29   35 1
    41   32   33 2
    42   34   35 2
    43    6   36 1
    44    6   37 1
    45    7   38 1
    46    9   39 1
    47   10   40 1
    48   11   41 1
    49   12   42 1
    50   12   43 1
    51   18   44 1
    52   18   45 1
    53   18   46 1
    54   24   47 1
    55   24   48 1
    56   25   49 1
    57   27   50 1
    58   28   51 1
    59   29   52 1
    60   30   53 1
    61   30   54 1
    62   30   55 1
    63   31   56 1
    64   31   57 1
    65   31   58 1
    66   32   59 1
    67   33   60 1
    68   34   61 1
    69   35   62 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.9887
  Crash		| -3.8572
  Polar		| 3.1058
  FragIndex	| 1
  FragRMSD	| 0.604