@<TRIPOS>MOLECULE
BindingDB_13179
 78 81 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -8.3409  -11.9341   -0.8858  C     
2    N        -7.3409  -11.0377   -1.5638  N     
3    C        -6.2102  -10.5551   -0.6814  C     
4    C        -6.5406  -10.4443    0.7450  C     
5    C        -5.4819   -9.2590   -1.1734  C     
6    O        -7.0784   -9.4277    1.1706  O     
7    N        -6.3013  -11.4752    1.5527  N     
8    C        -6.7087  -11.6814    2.9327  C     
9    C        -5.5725  -11.4813    3.8492  C     
10   O        -4.4451  -11.6854    3.3948  O     
11   C        -4.5864  -11.1425    6.0976  C     
12   C        -6.9178  -10.7601    5.7852  C     
13   C        -6.5302  -10.1462    7.1386  C     
14   C        -5.2177  -10.8537    7.4811  C     
15   N        -5.6904  -11.1716    5.1597  N     
16   C        -3.7807  -12.3604    6.1440  C     
17   O        -4.3554  -13.4414    6.1736  O     
18   N        -2.4569  -12.2802    6.1223  N     
19   C        -1.5258  -13.3754    6.0683  C     
20   C         0.8032  -13.3554    7.9910  C     
21   C        -0.6583  -13.5214    8.4782  C     
22   C        -1.5119  -14.2050    7.3882  C     
23   C         0.9301  -12.8552    6.5949  C     
24   C        -0.1772  -12.8441    5.6912  C     
25   C         2.1979  -12.4159    6.1494  C     
26   C         0.0163  -12.3209    4.3887  C     
27   C         1.2768  -11.8726    3.9640  C     
28   C         2.3754  -11.9336    4.8418  C     
29   C        -8.0371   -9.9928   -2.3866  C     
30   C        -7.3959  -13.0997    3.1399  C     
31   C        -8.8714  -13.1219    2.6108  C     
32   C        -9.5663  -14.4889    2.8626  C     
33   C        -8.7811  -15.6504    2.1899  C     
34   C        -7.3071  -15.6813    2.6845  C     
35   C        -6.6141  -14.3023    2.4953  C     
36   H        -7.8219  -12.7371   -0.3390  H     
37   H        -8.9951  -12.3946   -1.6421  H     
38   H        -8.9594  -11.3556   -0.1831  H     
39   H        -6.8818  -11.6532   -2.2414  H     
40   H        -5.4470  -11.3332   -0.7880  H     
41   H        -5.2391   -9.3462   -2.2336  H     
42   H        -4.5473   -9.1156   -0.6221  H     
43   H        -6.1060   -8.3720   -1.0383  H     
44   H        -5.7994  -12.2075    1.1550  H     
45   H        -7.4329  -10.9014    3.1653  H     
46   H        -3.9671  -10.2824    5.8251  H     
47   H        -7.5731  -11.6228    5.9369  H     
48   H        -7.4440   -9.9968    5.2094  H     
49   H        -6.3564   -9.0688    7.0357  H     
50   H        -7.2971  -10.3109    7.9000  H     
51   H        -5.4464  -11.7717    8.0313  H     
52   H        -4.5686  -10.2273    8.0975  H     
53   H        -2.0849  -11.3871    6.0626  H     
54   H        -1.8395  -14.0543    5.2704  H     
55   H         1.3046  -12.6645    8.6758  H     
56   H         1.3142  -14.3200    8.0553  H     
57   H        -0.6749  -14.1205    9.3921  H     
58   H        -1.0834  -12.5398    8.7091  H     
59   H        -2.5234  -14.3558    7.7721  H     
60   H        -1.0923  -15.1960    7.1867  H     
61   H         3.0064  -12.4409    6.7782  H     
62   H        -0.7651  -12.2743    3.7290  H     
63   H         1.4054  -11.5120    3.0155  H     
64   H         3.2980  -11.6267    4.5304  H     
65   H        -8.8434  -10.4277   -2.9855  H     
66   H        -7.3344   -9.5341   -3.0894  H     
67   H        -8.4709   -9.2200   -1.7464  H     
68   H        -7.4649  -13.3119    4.2195  H     
69   H        -9.4564  -12.3481    3.1234  H     
70   H        -8.8841  -12.8843    1.5352  H     
71   H        -9.6241  -14.6785    3.9433  H     
72   H       -10.5906  -14.4561    2.4697  H     
73   H        -9.2714  -16.6040    2.4239  H     
74   H        -8.8066  -15.5106    1.0990  H     
75   H        -7.2845  -15.9776    3.7446  H     
76   H        -6.7625  -16.4375    2.1042  H     
77   H        -6.5263  -14.1264    1.4115  H     
78   H        -5.6078  -14.3673    2.9367  H     
@<TRIPOS>BOND
     1    1    2 1
     2    2    3 1
     3    2   29 1
     4    3    4 1
     5    3    5 1
     6    4    6 2
     7    4    7 am
     8    7    8 1
     9    8    9 1
    10    8   30 1
    11    9   10 2
    12    9   15 am
    13   11   14 1
    14   11   15 1
    15   11   16 1
    16   12   13 1
    17   12   15 1
    18   13   14 1
    19   16   17 2
    20   16   18 am
    21   19   18 1
    22   19   22 1
    23   19   24 1
    24   20   21 1
    25   20   23 1
    26   21   22 1
    27   23   24 2
    28   23   25 1
    29   24   26 1
    30   25   28 2
    31   26   27 2
    32   27   28 1
    33   30   31 1
    34   30   35 1
    35   31   32 1
    36   32   33 1
    37   33   34 1
    38   34   35 1
    39    1   36 1
    40    1   37 1
    41    1   38 1
    42    2   39 1
    43    3   40 1
    44    5   41 1
    45    5   42 1
    46    5   43 1
    47    7   44 1
    48    8   45 1
    49   11   46 1
    50   12   47 1
    51   12   48 1
    52   13   49 1
    53   13   50 1
    54   14   51 1
    55   14   52 1
    56   18   53 1
    57   19   54 1
    58   20   55 1
    59   20   56 1
    60   21   57 1
    61   21   58 1
    62   22   59 1
    63   22   60 1
    64   25   61 1
    65   26   62 1
    66   27   63 1
    67   28   64 1
    68   29   65 1
    69   29   66 1
    70   29   67 1
    71   30   68 1
    72   31   69 1
    73   31   70 1
    74   32   71 1
    75   32   72 1
    76   33   73 1
    77   33   74 1
    78   34   75 1
    79   34   76 1
    80   35   77 1
    81   35   78 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3348
  Crash		| -2.4292
  Polar		| 4.9648
  FragIndex	| 1
  FragRMSD	| 0.586