@<TRIPOS>MOLECULE
BindingDB_13175
 75 78 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -8.6552  -10.5985   -1.4543  C     
2    N        -7.2379  -10.6774   -1.8650  N     
3    C        -6.1554  -10.3896   -0.8877  C     
4    C        -6.5712  -10.4291    0.5128  C     
5    C        -5.4212   -9.0766   -1.2670  C     
6    O        -7.1815   -9.4818    0.9856  O     
7    N        -6.3131  -11.5048    1.2531  N     
8    C        -6.7464  -11.7746    2.6046  C     
9    C        -5.6698  -11.5101    3.5752  C     
10   O        -4.5223  -11.6522    3.1596  O     
11   C        -4.7459  -11.0617    5.8173  C     
12   C        -7.1091  -10.9242    5.4869  C     
13   C        -6.8572  -10.8686    7.0057  C     
14   C        -5.3768  -10.4944    7.1150  C     
15   N        -5.8398  -11.2150    4.8783  N     
16   C        -4.0074  -12.3043    6.0466  C     
17   O        -4.6292  -13.3373    6.2728  O     
18   N        -2.6801  -12.2995    5.9810  N     
19   C        -1.7655  -13.4090    6.0961  C     
20   C         0.7020  -14.0995    7.7054  C     
21   C        -0.6057  -14.9152    7.8328  C     
22   C        -1.8276  -14.0212    7.5313  C     
23   C         0.7754  -13.2810    6.4642  C     
24   C        -0.3825  -12.9755    5.6895  C     
25   C         2.0429  -12.7959    6.0631  C     
26   C        -0.2048  -12.2630    4.4746  C     
27   C         1.0595  -11.7972    4.0782  C     
28   C         2.1850  -12.0550    4.8782  C     
29   C        -7.2933  -13.2453    2.7066  C     
30   C        -8.3725  -13.5566    1.6152  C     
31   C        -8.9830  -14.9743    1.7829  C     
32   C        -7.8935  -16.0784    1.8195  C     
33   C        -6.7800  -15.7702    2.8548  C     
34   C        -6.1854  -14.3506    2.6654  C     
35   H        -8.8751  -11.3654   -0.7043  H     
36   H        -9.2829  -10.7813   -2.3278  H     
37   H        -8.8905   -9.6118   -1.0443  H     
38   H        -7.0831  -11.6214   -2.2183  H     
39   H        -7.1327  -10.0444   -2.6607  H     
40   H        -5.4206  -11.1817   -1.0531  H     
41   H        -5.2219   -9.0527   -2.3395  H     
42   H        -4.4586   -9.0265   -0.7444  H     
43   H        -6.0156   -8.1969   -1.0047  H     
44   H        -5.7839  -12.2016    0.8288  H     
45   H        -7.5845  -11.1126    2.8394  H     
46   H        -4.0703  -10.2929    5.4255  H     
47   H        -7.8624  -11.6895    5.2693  H     
48   H        -7.4615   -9.9482    5.1311  H     
49   H        -7.5001  -10.1386    7.5011  H     
50   H        -7.0238  -11.8559    7.4505  H     
51   H        -4.9319  -10.8969    8.0327  H     
52   H        -5.2819   -9.4030    7.1340  H     
53   H        -2.2795  -11.4372    5.7879  H     
54   H        -2.0748  -14.1772    5.3813  H     
55   H         0.8008  -13.4305    8.5659  H     
56   H         1.5363  -14.8075    7.7354  H     
57   H        -0.5850  -15.7532    7.1298  H     
58   H        -0.6843  -15.3244    8.8439  H     
59   H        -1.8684  -13.2217    8.2779  H     
60   H        -2.7312  -14.6254    7.6411  H     
61   H         2.8779  -12.9899    6.6218  H     
62   H        -1.0071  -12.0554    3.8750  H     
63   H         1.1629  -11.2645    3.2100  H     
64   H         3.1058  -11.7133    4.5925  H     
65   H        -7.7943  -13.3276    3.6797  H     
66   H        -9.1833  -12.8216    1.6692  H     
67   H        -7.9220  -13.4905    0.6218  H     
68   H        -9.5664  -15.0107    2.7085  H     
69   H        -9.6655  -15.1758    0.9507  H     
70   H        -8.3581  -17.0362    2.0676  H     
71   H        -7.4427  -16.1725    0.8276  H     
72   H        -7.1921  -15.8567    3.8643  H     
73   H        -5.9811  -16.5122    2.7551  H     
74   H        -5.6627  -14.3145    1.7094  H     
75   H        -5.4561  -14.1880    3.4622  H     
@<TRIPOS>BOND
     1    1    2 1
     2    2    3 1
     3    3    4 1
     4    3    5 1
     5    4    6 2
     6    4    7 am
     7    7    8 1
     8    8    9 1
     9    8   29 1
    10    9   10 2
    11    9   15 am
    12   11   14 1
    13   11   15 1
    14   11   16 1
    15   12   13 1
    16   12   15 1
    17   13   14 1
    18   16   17 2
    19   16   18 am
    20   19   18 1
    21   19   22 1
    22   19   24 1
    23   20   21 1
    24   20   23 1
    25   21   22 1
    26   23   24 2
    27   23   25 1
    28   24   26 1
    29   25   28 2
    30   26   27 2
    31   27   28 1
    32   29   30 1
    33   29   34 1
    34   30   31 1
    35   31   32 1
    36   32   33 1
    37   33   34 1
    38    1   35 1
    39    1   36 1
    40    1   37 1
    41    2   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   30   66 1
    70   30   67 1
    71   31   68 1
    72   31   69 1
    73   32   70 1
    74   32   71 1
    75   33   72 1
    76   33   73 1
    77   34   74 1
    78   34   75 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.4892
  Crash		| -1.5168
  Polar		| 5.2547
  FragIndex	| 1
  FragRMSD	| 0.329