@<TRIPOS>MOLECULE
BindingDB_50204718
 58 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -7.9629    8.9204  -16.0959  C     
2    C        -7.3824    7.6298  -15.9472  C     
3    C        -6.2732    7.2889  -16.7536  C     
4    C        -7.4121    9.8755  -16.9851  C     
5    C        -6.2505    9.5366  -17.7073  C     
6    C        -5.6899    8.2597  -17.5756  C     
7    C        -4.3899    8.1328  -18.2391  C     
8    C        -5.3767   10.2675  -18.5026  C     
9    C        -4.2736    9.4916  -18.7741  C     
10   C        -3.3626   10.2830  -19.4673  C     
11   N        -3.9886   11.4747  -19.6390  N     
12   N        -5.1681   11.4580  -19.0814  N     
13   C        -2.0290    9.9655  -19.8677  C     
14   C        -1.2712   10.8947  -20.6242  C     
15   C         0.0689   10.6318  -20.9744  C     
16   C         0.6956    9.4277  -20.5844  C     
17   C        -0.0517    8.4885  -19.8463  C     
18   C        -1.3865    8.7557  -19.4985  C     
19   C        -7.8230    6.6627  -14.9062  C     
20   N        -6.8787    6.6449  -13.7556  N     
21   C        -5.7007    5.7306  -13.7550  C     
22   C        -5.9954    4.4656  -12.8933  C     
23   C        -4.7484    3.5525  -12.7542  C     
24   C        -3.5168    4.3250  -12.1877  C     
25   C        -3.2148    5.5746  -13.0635  C     
26   C        -4.4559    6.4947  -13.2134  C     
27   C        -2.2708    3.4062  -12.0615  C     
28   C         2.1095    9.1723  -20.9432  C     
29   H        -8.7665    9.1890  -15.5202  H     
30   H        -5.8472    6.3632  -16.7065  H     
31   H        -7.8096   10.8165  -17.0455  H     
32   H        -3.6162    7.9229  -17.4975  H     
33   H        -4.4018    7.3800  -19.0316  H     
34   H        -5.7953   12.2012  -19.0883  H     
35   H        -1.6836   11.7839  -20.9254  H     
36   H         0.5859   11.3310  -21.5155  H     
37   H         0.3733    7.6056  -19.5469  H     
38   H        -1.8637    8.0433  -18.9552  H     
39   H        -8.8007    6.9594  -14.5185  H     
40   H        -7.9413    5.6643  -15.3354  H     
41   H        -6.5358    7.5969  -13.6325  H     
42   H        -7.4233    6.4130  -12.9240  H     
43   H        -5.4589    5.3979  -14.7655  H     
44   H        -6.3238    4.7693  -11.8918  H     
45   H        -6.8109    3.8927  -13.3528  H     
46   H        -4.9942    2.7200  -12.0905  H     
47   H        -4.5004    3.1387  -13.7356  H     
48   H        -3.7638    4.6729  -11.1772  H     
49   H        -2.4085    6.1518  -12.6080  H     
50   H        -2.8808    5.2624  -14.0546  H     
51   H        -4.2109    7.3115  -13.8981  H     
52   H        -4.6882    6.9371  -12.2400  H     
53   H        -2.4865    2.5561  -11.4144  H     
54   H        -1.4388    3.9593  -11.6222  H     
55   H        -1.9628    3.0332  -13.0401  H     
56   H         2.2221    9.1966  -22.0272  H     
57   H         2.4611    8.2032  -20.5841  H     
58   H         2.7437    9.9474  -20.5062  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    2   19 1
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5    8 1
     9    6    7 1
    10    7    9 1
    11    8    9 2
    12    8   12 1
    13    9   10 1
    14   10   11 2
    15   10   13 1
    16   11   12 1
    17   13   14 2
    18   13   18 1
    19   14   15 1
    20   15   16 2
    21   16   17 1
    22   16   28 1
    23   17   18 2
    24   19   20 1
    25   21   20 1
    26   21   22 1
    27   21   26 1
    28   22   23 1
    29   23   24 1
    30   24   25 1
    31   24   27 1
    32   25   26 1
    33    1   29 1
    34    3   30 1
    35    4   31 1
    36    7   32 1
    37    7   33 1
    38   12   34 1
    39   14   35 1
    40   15   36 1
    41   17   37 1
    42   18   38 1
    43   19   39 1
    44   19   40 1
    45   20   41 1
    46   20   42 1
    47   21   43 1
    48   22   44 1
    49   22   45 1
    50   23   46 1
    51   23   47 1
    52   24   48 1
    53   25   49 1
    54   25   50 1
    55   26   51 1
    56   26   52 1
    57   27   53 1
    58   27   54 1
    59   27   55 1
    60   28   56 1
    61   28   57 1
    62   28   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4493
  Crash		| -1.5436
  Polar		| 3.1776
  FragIndex	| 1
  FragRMSD	| 1.225