@<TRIPOS>MOLECULE
BindingDB_50195202
 57 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        12.9828   -2.5494   12.2403  C     
2    C        12.2178   -1.5068   11.6566  C     
3    C        12.7693   -0.6335   10.7018  C     
4    C        14.3425   -2.6588   11.8551  C     
5    C        14.9139   -1.7806   10.9048  C     
6    C        14.1158   -0.7731   10.3176  C     
7    N        14.6863    0.0519    9.3893  N     
8    C        15.9669   -0.0531    9.0385  C     
9    C        16.8063   -1.0068    9.6024  C     
10   C        16.2527   -1.8536   10.5100  C     
11   O        16.3464    0.7659    8.2155  O     
12   C        18.1764   -1.0951    9.2657  C     
13   N        18.8487   -0.3068    8.3834  N     
14   C        19.1169   -2.0214    9.7467  C     
15   C        20.3209   -1.7798    9.1119  C     
16   C        20.1302   -0.6950    8.2649  C     
17   C        21.1803   -0.2342    7.4534  C     
18   C        22.4203   -0.9105    7.4989  C     
19   C        22.6164   -2.0307    8.3483  C     
20   C        21.5517   -2.4515    9.1807  C     
21   C        23.8707   -2.8257    8.2978  C     
22   N        23.8598   -4.0177    7.3743  N     
23   C        22.6375   -4.1269    6.5060  C     
24   C        22.6836   -5.3584    5.5698  C     
25   C        22.8698   -6.6567    6.3846  C     
26   C        24.1417   -6.5579    7.2608  C     
27   C        24.1145   -5.2834    8.1470  C     
28   N        12.4205   -3.4227   13.1306  N     
29   N        13.0235   -4.3826   13.7167  N     
30   C        12.1825   -5.0001   14.4481  C     
31   C        11.0190   -4.3981   14.3008  C     
32   N        11.1963   -3.4323   13.4883  N     
33   H        11.2421   -1.3742   11.9250  H     
34   H        12.1873    0.1011   10.2902  H     
35   H        14.9276   -3.3912   12.2656  H     
36   H        14.1429    0.7433    8.9779  H     
37   H        16.8009   -2.5682   10.9280  H     
38   H        18.4570    0.4129    7.8646  H     
39   H        18.9717   -2.7724   10.4185  H     
40   H        21.0384    0.5554    6.8245  H     
41   H        23.1771   -0.5973    6.8854  H     
42   H        21.6387   -3.2695    9.7884  H     
43   H        24.6785   -2.1531    7.9902  H     
44   H        24.1239   -3.1611    9.3167  H     
45   H        24.6528   -3.9031    6.7326  H     
46   H        21.7365   -4.1713    7.1264  H     
47   H        22.5566   -3.2555    5.8573  H     
48   H        21.7564   -5.4151    4.9973  H     
49   H        23.5125   -5.2485    4.8658  H     
50   H        21.9957   -6.8208    7.0228  H     
51   H        22.9560   -7.5082    5.7078  H     
52   H        24.2158   -7.4465    7.8974  H     
53   H        25.0254   -6.5292    6.6200  H     
54   H        25.0813   -5.2127    8.6571  H     
55   H        23.3472   -5.4189    8.9150  H     
56   H        12.3717   -5.7864   15.0228  H     
57   H        10.1625   -4.6489   14.7339  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 1
    34   28   32 1
    35   29   30 2
    36   30   31 1
    37   31   32 2
    38    2   33 1
    39    3   34 1
    40    4   35 1
    41    7   36 1
    42   10   37 1
    43   13   38 1
    44   14   39 1
    45   17   40 1
    46   18   41 1
    47   20   42 1
    48   21   43 1
    49   21   44 1
    50   22   45 1
    51   23   46 1
    52   23   47 1
    53   24   48 1
    54   24   49 1
    55   25   50 1
    56   25   51 1
    57   26   52 1
    58   26   53 1
    59   27   54 1
    60   27   55 1
    61   30   56 1
    62   31   57 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0074
  Crash		| -0.5751
  Polar		| 2.1227
  FragIndex	| 1
  FragRMSD	| 0.129