@<TRIPOS>MOLECULE
BindingDB_17991
 62 65 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.7903   89.3966  163.1807  C     
2    C         1.4644   87.2345  162.4975  C     
3    C         2.8200   87.6440  162.4595  C     
4    C         3.1125   88.9824  162.8577  C     
5    N         2.0813   89.8069  163.1897  N     
6    N         0.4937   88.1156  162.8378  N     
7    N        -0.1951   90.2559  163.4774  N     
8    N         1.0581   85.9933  162.1637  N     
9    C         4.4846   89.5584  162.9443  C     
10   C         4.7102   90.7105  161.9366  C     
11   C         3.7877   86.8384  161.8129  C     
12   C         3.9568   86.9973  160.4194  C     
13   C         4.5885   85.9232  162.5255  C     
14   C         5.5593   85.1831  161.8309  C     
15   C         4.8945   86.2172  159.6884  C     
16   C         5.7000   85.3187  160.4363  C     
17   O         6.6854   84.5924  159.8203  O     
18   N         5.0683   86.2738  158.2950  N     
19   C         4.2725   87.1957  157.4838  C     
20   C         4.8539   88.6433  157.4926  C     
21   C         3.3430   92.0091  156.7436  C     
22   C         5.9317   85.4303  157.6878  C     
23   O         6.1744   85.5360  156.4880  O     
24   C         6.5649   84.3046  158.4017  C     
25   C         5.7945   83.0301  158.1266  C     
26   C         4.3467   80.6235  157.5694  C     
27   C         5.1735   81.1987  156.5838  C     
28   C         5.8753   82.3909  156.8577  C     
29   C         4.9512   82.4264  159.1013  C     
30   C         4.2355   81.2470  158.8257  C     
31   F         5.3050   80.6263  155.4152  F     
32   C         3.7552   89.7293  157.3979  C     
33   O         4.2607   90.9006  156.7294  O     
34   C         8.0713   84.1490  158.0091  C     
35   F         3.6874   79.5213  157.3294  F     
36   H        -1.1179   89.9655  163.4382  H     
37   H         0.0119   91.1809  163.6745  H     
38   H         0.1147   85.7716  162.1899  H     
39   H         1.7062   85.3060  161.9389  H     
40   H         4.6458   89.9365  163.9623  H     
41   H         5.2547   88.7995  162.7685  H     
42   H         4.5910   90.3475  160.9106  H     
43   H         5.7215   91.1040  162.0586  H     
44   H         4.0020   91.5251  162.1131  H     
45   H         3.3778   87.6971  159.9472  H     
46   H         4.4776   85.8112  163.5400  H     
47   H         6.1501   84.5266  162.3443  H     
48   H         4.1988   86.8819  156.4307  H     
49   H         3.2229   87.1697  157.8111  H     
50   H         5.4373   88.8246  158.3959  H     
51   H         5.5431   88.7398  156.6445  H     
52   H         2.4649   91.7551  156.1446  H     
53   H         3.8331   92.8797  156.2953  H     
54   H         3.0392   92.2783  157.7632  H     
55   H         6.4647   82.7881  156.1140  H     
56   H         4.8653   82.8282  160.0411  H     
57   H         3.6298   80.8453  159.5462  H     
58   H         2.8854   89.3308  156.8522  H     
59   H         3.4407   90.0023  158.4157  H     
60   H         8.6148   85.0774  158.2359  H     
61   H         8.2020   83.9244  156.9440  H     
62   H         8.5268   83.3380  158.5871  H     
@<TRIPOS>BOND
     1    1    5 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    2    6 2
     6    2    8 1
     7    3    4 2
     8    3   11 1
     9    4    5 1
    10    4    9 1
    11    9   10 1
    12   11   12 1
    13   11   13 2
    14   12   15 2
    15   13   14 1
    16   14   16 2
    17   15   16 1
    18   15   18 1
    19   16   17 1
    20   17   24 1
    21   18   19 1
    22   18   22 1
    23   19   20 1
    24   20   32 1
    25   21   33 1
    26   22   23 2
    27   22   24 1
    28   24   25 1
    29   24   34 1
    30   25   28 1
    31   25   29 2
    32   26   27 1
    33   26   30 2
    34   26   35 1
    35   27   28 2
    36   27   31 1
    37   29   30 1
    38   32   33 1
    39    7   36 1
    40    7   37 1
    41    8   38 1
    42    8   39 1
    43    9   40 1
    44    9   41 1
    45   10   42 1
    46   10   43 1
    47   10   44 1
    48   12   45 1
    49   13   46 1
    50   14   47 1
    51   19   48 1
    52   19   49 1
    53   20   50 1
    54   20   51 1
    55   21   52 1
    56   21   53 1
    57   21   54 1
    58   28   55 1
    59   29   56 1
    60   30   57 1
    61   32   58 1
    62   32   59 1
    63   34   60 1
    64   34   61 1
    65   34   62 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 12.2043
  Crash		| -1.1417
  Polar		| 4.3724
  FragIndex	| 1
  FragRMSD	| 0.123