@<TRIPOS>MOLECULE
BindingDB_50195215
 55 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.5300   -2.3909   10.4867  C     
2    C        13.6864   -1.0735    9.9963  C     
3    C        15.9311   -2.8017   10.1744  C     
4    C        14.6542   -3.2490   10.5747  C     
5    C        12.3509   -2.8194   10.8468  C     
6    N        11.3163   -3.2015   11.1684  N     
7    N        15.3684    0.5140    9.1002  N     
8    N        16.6473    0.4826    8.8811  N     
9    C        17.1585   -0.7176    9.2443  C     
10   C        16.0851   -1.4810    9.7096  C     
11   C        14.9695   -0.6520    9.6127  C     
12   C        18.5301   -1.0313    9.1017  C     
13   N        19.3898   -0.2402    8.4298  N     
14   C        19.2610   -2.1361    9.5600  C     
15   C        20.5662   -1.9990    9.1025  C     
16   C        20.6094   -0.7969    8.4021  C     
17   C        21.7969   -0.3474    7.8111  C     
18   C        22.9274   -1.1893    7.8516  C     
19   C        22.8795   -2.4628    8.4887  C     
20   C        21.6951   -2.8371    9.1740  C     
21   C        24.0364   -3.4058    8.3868  C     
22   N        23.7550   -4.7056    7.6804  N     
23   C        22.8408   -4.6110    6.4965  C     
24   C        22.5024   -6.0192    5.9350  C     
25   C        23.8020   -6.7492    5.4815  C     
26   C        24.8050   -6.8103    6.6727  C     
27   C        25.0293   -5.4233    7.3268  C     
28   C        23.5539   -8.1714    4.9028  C     
29   N        22.5398   -8.2026    3.8374  N     
30   H        12.8928   -0.4270    9.9116  H     
31   H        16.7200   -3.4455   10.2200  H     
32   H        14.5577   -4.2020   10.9284  H     
33   H        14.7818    1.2675    8.9149  H     
34   H        19.1495    0.5956    7.9992  H     
35   H        18.9231   -2.9113   10.1296  H     
36   H        21.8233    0.5482    7.3204  H     
37   H        23.7714   -0.8935    7.3518  H     
38   H        21.6290   -3.7389    9.6449  H     
39   H        24.8750   -2.9020    7.8912  H     
40   H        24.3711   -3.6383    9.4063  H     
41   H        23.2726   -5.2983    8.3590  H     
42   H        21.8986   -4.1415    6.7783  H     
43   H        23.3006   -4.0021    5.7127  H     
44   H        21.9941   -6.6053    6.7093  H     
45   H        21.8124   -5.9086    5.0961  H     
46   H        24.2505   -6.1533    4.6808  H     
47   H        24.4265   -7.4985    7.4317  H     
48   H        25.7629   -7.1952    6.3148  H     
49   H        25.6271   -4.8156    6.6415  H     
50   H        25.6245   -5.5833    8.2329  H     
51   H        24.4893   -8.5626    4.4934  H     
52   H        23.2184   -8.8525    5.6928  H     
53   H        21.6114   -8.1758    4.2671  H     
54   H        22.6384   -9.0668    3.2945  H     
55   H        22.6540   -7.3973    3.2135  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1    5 1
     4    2   11 1
     5    3    4 2
     6    3   10 1
     7    5    6 3
     8    7    8 1
     9    7   11 1
    10    8    9 2
    11    9   10 1
    12    9   12 1
    13   10   11 2
    14   12   13 1
    15   12   14 2
    16   13   16 1
    17   14   15 1
    18   15   16 2
    19   15   20 1
    20   16   17 1
    21   17   18 2
    22   18   19 1
    23   19   20 2
    24   19   21 1
    25   21   22 1
    26   22   23 1
    27   22   27 1
    28   23   24 1
    29   24   25 1
    30   25   26 1
    31   25   28 1
    32   26   27 1
    33   28   29 1
    34    2   30 1
    35    3   31 1
    36    4   32 1
    37    7   33 1
    38   13   34 1
    39   14   35 1
    40   17   36 1
    41   18   37 1
    42   20   38 1
    43   21   39 1
    44   21   40 1
    45   22   41 1
    46   23   42 1
    47   23   43 1
    48   24   44 1
    49   24   45 1
    50   25   46 1
    51   26   47 1
    52   26   48 1
    53   27   49 1
    54   27   50 1
    55   28   51 1
    56   28   52 1
    57   29   53 1
    58   29   54 1
    59   29   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.6022
  Crash		| -0.6503
  Polar		| 4.4755
  FragIndex	| 1
  FragRMSD	| 0.628