@<TRIPOS>MOLECULE
BindingDB_50195209
 61 66 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.0131   -2.5812   12.0194  C     
2    C        12.2674   -1.5694   11.3646  C     
3    C        12.8615   -0.7004   10.4338  C     
4    C        14.3897   -2.6969   11.6999  C     
5    C        15.0065   -1.8229   10.7754  C     
6    C        14.2328   -0.8210   10.1459  C     
7    N        14.8452    0.0184    9.2639  N     
8    C        16.1429   -0.0757    8.9789  C     
9    C        16.9536   -1.0470    9.5540  C     
10   C        16.3628   -1.8948   10.4372  C     
11   O        16.5590    0.7859    8.2228  O     
12   C        18.3294   -1.1556    9.2396  C     
13   N        19.0060   -0.4286    8.3126  N     
14   C        19.2649   -2.0430    9.7930  C     
15   C        20.4775   -1.8443    9.1566  C     
16   C        20.2914   -0.8167    8.2418  C     
17   C        21.3622   -0.3650    7.4511  C     
18   C        22.6172   -1.0009    7.5800  C     
19   C        22.8098   -2.0746    8.4935  C     
20   C        21.7228   -2.4735    9.3109  C     
21   C        24.1423   -2.7199    8.6689  C     
22   N        24.4551   -3.9618    7.8833  N     
23   C        23.6166   -5.1738    8.1632  C     
24   C        22.3708   -5.3485    7.2532  C     
25   C        22.7499   -5.2195    5.7575  C     
26   C        23.4895   -3.8848    5.5043  C     
27   C        24.7329   -3.7643    6.4237  C     
28   C        12.3888   -3.4515   12.9644  C     
29   C        12.8112   -4.7051   13.4037  C     
30   N        11.9065   -5.1813   14.2820  N     
31   N        10.9491   -4.3196   14.4356  N     
32   C        11.1967   -3.2522   13.6606  C     
33   C        11.9725   -6.4429   14.9397  C     
34   H        11.2699   -1.4604   11.5464  H     
35   H        12.2942    0.0150    9.9714  H     
36   H        14.9599   -3.4089   12.1611  H     
37   H        14.3223    0.7215    8.8446  H     
38   H        16.8917   -2.6132   10.8694  H     
39   H        18.6230    0.2653    7.7524  H     
40   H        19.1130   -2.7298   10.5319  H     
41   H        21.2280    0.3990    6.7870  H     
42   H        23.3989   -0.6676    7.0107  H     
43   H        21.8280   -3.2274    9.9929  H     
44   H        24.9182   -1.9775    8.4606  H     
45   H        24.2724   -2.9514    9.7295  H     
46   H        25.3700   -4.2248    8.2607  H     
47   H        24.2613   -6.0490    8.0241  H     
48   H        23.2955   -5.1866    9.2090  H     
49   H        21.9344   -6.3375    7.4213  H     
50   H        21.6192   -4.6008    7.5060  H     
51   H        23.3900   -6.0601    5.4619  H     
52   H        21.8450   -5.2557    5.1411  H     
53   H        23.8030   -3.8378    4.4584  H     
54   H        22.8052   -3.0551    5.6931  H     
55   H        25.2187   -2.8015    6.2464  H     
56   H        25.4551   -4.5300    6.1220  H     
57   H        13.6442   -5.2051   13.0907  H     
58   H        10.5962   -2.4259   13.6165  H     
59   H        11.9939   -7.2450   14.1993  H     
60   H        11.1024   -6.5926   15.5850  H     
61   H        12.8760   -6.4952   15.5512  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1   28 1
     4    2    3 1
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5   10 1
     9    6    7 1
    10    7    8 1
    11    8    9 1
    12    8   11 2
    13    9   10 2
    14    9   12 1
    15   12   13 1
    16   12   14 2
    17   13   16 1
    18   14   15 1
    19   15   16 2
    20   15   20 1
    21   16   17 1
    22   17   18 2
    23   18   19 1
    24   19   20 2
    25   19   21 1
    26   21   22 1
    27   22   23 1
    28   22   27 1
    29   23   24 1
    30   24   25 1
    31   25   26 1
    32   26   27 1
    33   28   29 2
    34   28   32 1
    35   29   30 1
    36   30   31 1
    37   30   33 1
    38   31   32 2
    39    2   34 1
    40    3   35 1
    41    4   36 1
    42    7   37 1
    43   10   38 1
    44   13   39 1
    45   14   40 1
    46   17   41 1
    47   18   42 1
    48   20   43 1
    49   21   44 1
    50   21   45 1
    51   22   46 1
    52   23   47 1
    53   23   48 1
    54   24   49 1
    55   24   50 1
    56   25   51 1
    57   25   52 1
    58   26   53 1
    59   26   54 1
    60   27   55 1
    61   27   56 1
    62   29   57 1
    63   32   58 1
    64   33   59 1
    65   33   60 1
    66   33   61 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.7242
  Crash		| -0.6262
  Polar		| 2.0576
  FragIndex	| 1
  FragRMSD	| 0.741