@<TRIPOS>MOLECULE
BindingDB_18008
 65 68 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         1.5255   89.4183  164.0128  C     
2    C         3.7646   89.0770  163.2799  C     
3    C         3.4720   87.7180  162.9864  C     
4    C         2.1459   87.2716  163.2353  C     
5    N         1.2258   88.1282  163.7428  N     
6    N         2.7815   89.8675  163.7822  N     
7    N         0.5903   90.2608  164.4729  N     
8    C         4.3650   86.8802  162.2730  C     
9    C         4.5601   87.1314  160.8979  C     
10   C         4.8517   85.6806  162.8338  C     
11   C         5.4080   84.6955  162.0037  C     
12   C         5.0892   86.1438  160.0325  C     
13   C         5.4351   84.8967  160.6111  C     
14   O         5.6137   83.8195  159.7799  O     
15   N         5.0514   86.2297  158.6347  N     
16   C         5.0360   87.5312  157.9801  C     
17   C         4.9108   85.0945  157.9111  C     
18   O         4.5976   85.1675  156.7277  O     
19   C         5.0958   82.5055  157.9048  C     
20   C         5.3740   79.9844  156.5972  C     
21   C         5.6943   81.1717  155.9178  C     
22   C         5.5800   82.4128  156.5726  C     
23   C         4.8840   81.2785  158.5934  C     
24   C         5.0057   80.0347  157.9506  C     
25   C         4.7377   83.7965  158.6104  C     
26   C         3.2090   83.7240  158.9973  C     
27   F         6.1006   81.1206  154.6778  F     
28   F         4.7671   78.9292  158.6036  F     
29   N         1.7004   86.0306  162.9550  N     
30   C         5.0829   89.7311  163.0952  C     
31   C         5.0670   90.8052  161.9815  C     
32   C         3.5831   88.0063  157.7027  C     
33   C         3.4800   89.5040  157.3478  C     
34   O         2.0843   89.8603  157.3157  O     
35   C         1.7841   91.2376  157.0325  C     
36   C         1.9639   91.5925  155.5442  C     
37   H         0.8206   91.1965  164.5654  H     
38   H        -0.3197   89.9589  164.6186  H     
39   H         4.1886   87.9984  160.5073  H     
40   H         4.7277   85.4837  163.8326  H     
41   H         5.6719   83.7892  162.4000  H     
42   H         5.5670   88.2714  158.5912  H     
43   H         5.5821   87.4945  157.0295  H     
44   H         5.4445   79.0833  156.1176  H     
45   H         5.8437   83.2433  156.0458  H     
46   H         4.6090   81.2786  159.5789  H     
47   H         3.0256   82.9523  159.7450  H     
48   H         2.5998   83.5021  158.1167  H     
49   H         2.8388   84.6590  159.4242  H     
50   H         0.7732   85.8067  163.1324  H     
51   H         2.2873   85.3532  162.5780  H     
52   H         5.3584   90.2044  164.0405  H     
53   H         5.8652   89.0050  162.8638  H     
54   H         4.9646   90.3435  160.9989  H     
55   H         6.0054   91.3572  162.0014  H     
56   H         4.2491   91.5152  162.1281  H     
57   H         3.1720   87.4262  156.8744  H     
58   H         2.9533   87.8130  158.5750  H     
59   H         4.0080   90.1039  158.0984  H     
60   H         3.9439   89.6617  156.3707  H     
61   H         0.7355   91.3903  157.2947  H     
62   H         2.3829   91.9111  157.6521  H     
63   H         1.4393   90.8685  154.9216  H     
64   H         3.0201   91.5923  155.2796  H     
65   H         1.5602   92.5855  155.3474  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   30 1
     7    3    4 2
     8    3    8 1
     9    4    5 1
    10    4   29 1
    11    8    9 1
    12    8   10 2
    13    9   12 2
    14   10   11 1
    15   11   13 2
    16   12   13 1
    17   12   15 1
    18   13   14 1
    19   14   25 1
    20   15   16 1
    21   15   17 1
    22   16   32 1
    23   17   18 2
    24   17   25 1
    25   19   22 1
    26   19   23 2
    27   19   25 1
    28   20   21 1
    29   20   24 2
    30   21   22 2
    31   21   27 1
    32   23   24 1
    33   24   28 1
    34   25   26 1
    35   30   31 1
    36   32   33 1
    37   33   34 1
    38   34   35 1
    39   35   36 1
    40    7   37 1
    41    7   38 1
    42    9   39 1
    43   10   40 1
    44   11   41 1
    45   16   42 1
    46   16   43 1
    47   20   44 1
    48   22   45 1
    49   23   46 1
    50   26   47 1
    51   26   48 1
    52   26   49 1
    53   29   50 1
    54   29   51 1
    55   30   52 1
    56   30   53 1
    57   31   54 1
    58   31   55 1
    59   31   56 1
    60   32   57 1
    61   32   58 1
    62   33   59 1
    63   33   60 1
    64   35   61 1
    65   35   62 1
    66   36   63 1
    67   36   64 1
    68   36   65 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.7502
  Crash		| -4.1857
  Polar		| 2.2106
  FragIndex	| 1
  FragRMSD	| 1.008