@<TRIPOS>MOLECULE
BindingDB_17979
 59 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.8152  108.3550  130.8294  C     
2    C        27.5167  106.1506  130.0458  C     
3    C        26.3201  106.5378  129.3623  C     
4    C        25.9070  107.8963  129.4905  C     
5    N        26.6688  108.7529  130.2143  N     
6    N        28.2356  107.0715  130.7318  N     
7    N        28.5407  109.2480  131.5459  N     
8    N        28.0283  104.9167  129.9658  N     
9    C        24.6938  108.4443  128.8094  C     
10   C        23.9371  109.5277  129.6022  C     
11   C        25.5006  105.5572  128.7418  C     
12   C        24.3943  105.0442  129.4688  C     
13   C        25.6989  105.1585  127.4068  C     
14   C        24.8387  104.2146  126.8173  C     
15   C        23.4902  104.1138  128.8921  C     
16   C        23.7645  103.6811  127.5594  C     
17   C        22.5255  101.7230  127.9750  C     
18   C        21.8407  102.4290  129.0731  C     
19   O        22.9619  102.7066  126.9790  O     
20   N        22.3713  103.5807  129.5438  N     
21   C        21.7896  104.2819  130.6788  C     
22   C        21.2229  105.6981  130.3444  C     
23   C        21.3707  106.7382  131.4939  C     
24   O        20.0945  107.0957  132.0825  O     
25   C        20.1536  107.5994  133.4325  C     
26   O        20.8501  101.9130  129.5883  O     
27   C        21.7310  100.6108  127.3557  C     
28   C        20.3349  100.7295  127.1725  C     
29   C        22.3570   99.3883  127.0150  C     
30   C        21.6025   98.2868  126.5685  C     
31   C        20.2078   98.4015  126.4281  C     
32   C        19.5736   99.6211  126.7411  C     
33   F        19.5115   97.3786  126.0356  F     
34   H        29.3507  108.9712  131.9967  H     
35   H        28.2369  110.1509  131.6253  H     
36   H        28.8690  104.7241  130.4250  H     
37   H        27.5790  104.2106  129.4627  H     
38   H        25.0022  108.8511  127.8371  H     
39   H        23.9524  107.6529  128.6157  H     
40   H        23.6652  109.1578  130.5976  H     
41   H        23.0329  109.8187  129.0758  H     
42   H        24.5702  110.4196  129.7085  H     
43   H        24.2696  105.3406  130.4398  H     
44   H        26.4960  105.5241  126.8760  H     
45   H        25.0007  103.9116  125.8612  H     
46   H        23.4316  101.2921  128.4284  H     
47   H        20.9758  103.7106  131.1382  H     
48   H        22.5510  104.3481  131.4580  H     
49   H        21.7300  106.0847  129.4585  H     
50   H        20.1616  105.5886  130.0730  H     
51   H        22.0989  106.3892  132.2428  H     
52   H        21.7573  107.6551  131.0328  H     
53   H        20.4886  106.7996  134.1127  H     
54   H        19.1384  107.9127  133.7175  H     
55   H        20.8261  108.4776  133.5298  H     
56   H        19.8504  101.6040  127.4112  H     
57   H        23.3670   99.2666  127.1492  H     
58   H        22.0719   97.4068  126.3582  H     
59   H        18.5604   99.7003  126.6623  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   20 1
    19   16   19 1
    20   17   18 1
    21   17   19 1
    22   17   27 1
    23   18   20 1
    24   18   26 2
    25   20   21 1
    26   21   22 1
    27   22   23 1
    28   23   24 1
    29   24   25 1
    30   27   28 1
    31   27   29 2
    32   28   32 2
    33   29   30 1
    34   30   31 2
    35   31   32 1
    36   31   33 1
    37    7   34 1
    38    7   35 1
    39    8   36 1
    40    8   37 1
    41    9   38 1
    42    9   39 1
    43   10   40 1
    44   10   41 1
    45   10   42 1
    46   12   43 1
    47   13   44 1
    48   14   45 1
    49   17   46 1
    50   21   47 1
    51   21   48 1
    52   22   49 1
    53   22   50 1
    54   23   51 1
    55   23   52 1
    56   25   53 1
    57   25   54 1
    58   25   55 1
    59   28   56 1
    60   29   57 1
    61   30   58 1
    62   32   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.6900
  Crash		| -3.0822
  Polar		| 4.5195
  FragIndex	| 1
  FragRMSD	| 0.644