@<TRIPOS>MOLECULE
BindingDB_22426
 63 65 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        60.5845   35.5681   55.6978  C     
2    C        60.8303   35.8040   57.0621  C     
3    C        59.8272   35.5592   58.0165  C     
4    C        58.5732   35.0260   57.6267  C     
5    C        58.3540   34.7458   56.2547  C     
6    C        59.3492   35.0204   55.3014  C     
7    O        61.6059   35.7711   54.8217  O     
8    C        61.3759   36.6440   53.7042  C     
9    C        61.3701   35.8326   52.3744  C     
10   N        61.9393   36.5196   51.1705  N     
11   C        61.2698   37.8096   50.8563  C     
12   C        63.4277   36.6231   51.1611  C     
13   C        57.6088   34.7290   58.6037  C     
14   C        57.9016   33.9184   59.6607  C     
15   C        59.0783   33.1432   59.6496  C     
16   C        61.4069   32.7805   60.3403  C     
17   C        60.2001   33.5243   60.4172  C     
18   C        59.1668   32.0013   58.8117  C     
19   C        60.3699   31.2703   58.7295  C     
20   C        61.4873   31.6544   59.4917  C     
21   C        56.9867   33.6633   60.7848  C     
22   C        56.3665   35.3373   58.3962  C     
23   C        56.0817   36.6135   58.9490  C     
24   C        54.8932   37.2934   58.6014  C     
25   C        54.0280   36.7652   57.6212  C     
26   C        54.3179   35.5104   57.0522  C     
27   C        55.4511   34.7846   57.4645  C     
28   O        52.9437   37.4806   57.2219  O     
29   C        56.8039   34.7851   61.8631  C     
30   C        57.7936   35.9981   61.8316  C     
31   C        57.8201   36.6824   63.0283  C     
32   N        57.8628   37.2760   64.0161  N     
33   H        61.7370   36.1750   57.3561  H     
34   H        60.0252   35.7741   58.9972  H     
35   H        57.4885   34.3122   55.9325  H     
36   H        59.1750   34.8042   54.3207  H     
37   H        60.4625   37.2456   53.7863  H     
38   H        62.2097   37.3468   53.7171  H     
39   H        61.9045   34.8869   52.5180  H     
40   H        60.3388   35.5541   52.1525  H     
41   H        61.7182   35.9208   50.3751  H     
42   H        60.1909   37.6613   50.8142  H     
43   H        61.5890   38.1742   49.8781  H     
44   H        61.4950   38.5743   51.6040  H     
45   H        63.7990   37.2454   51.9786  H     
46   H        63.7714   37.0509   50.2188  H     
47   H        63.8725   35.6322   51.2463  H     
48   H        62.2273   33.0783   60.8665  H     
49   H        60.1473   34.3688   60.9925  H     
50   H        58.3770   31.7215   58.2290  H     
51   H        60.4325   30.4735   58.0919  H     
52   H        62.3623   31.1254   59.4230  H     
53   H        56.0117   33.4139   60.3615  H     
54   H        57.2919   32.7567   61.3233  H     
55   H        56.7404   37.0651   59.5936  H     
56   H        54.6869   38.1987   59.0289  H     
57   H        53.7054   35.1220   56.3286  H     
58   H        55.6347   33.8712   57.0333  H     
59   H        52.9546   37.4645   56.2394  H     
60   H        55.7854   35.1792   61.7853  H     
61   H        56.8818   34.2950   62.8444  H     
62   H        58.8244   35.6654   61.6119  H     
63   H        57.4710   36.7091   61.0570  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    4   13 1
     8    5    6 2
     9    7    8 1
    10    8    9 1
    11    9   10 1
    12   10   11 1
    13   10   12 1
    14   13   14 2
    15   13   22 1
    16   14   15 1
    17   14   21 1
    18   15   17 2
    19   15   18 1
    20   16   17 1
    21   16   20 2
    22   18   19 2
    23   19   20 1
    24   21   29 1
    25   22   23 1
    26   22   27 2
    27   23   24 2
    28   24   25 1
    29   25   26 2
    30   25   28 1
    31   26   27 1
    32   29   30 1
    33   30   31 1
    34   31   32 3
    35    2   33 1
    36    3   34 1
    37    5   35 1
    38    6   36 1
    39    8   37 1
    40    8   38 1
    41    9   39 1
    42    9   40 1
    43   10   41 1
    44   11   42 1
    45   11   43 1
    46   11   44 1
    47   12   45 1
    48   12   46 1
    49   12   47 1
    50   16   48 1
    51   17   49 1
    52   18   50 1
    53   19   51 1
    54   20   52 1
    55   21   53 1
    56   21   54 1
    57   23   55 1
    58   24   56 1
    59   26   57 1
    60   27   58 1
    61   28   59 1
    62   29   60 1
    63   29   61 1
    64   30   62 1
    65   30   63 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8791
  Crash		| -8.7621
  Polar		| 3.0799
  FragIndex	| 1
  FragRMSD	| 1.085