@<TRIPOS>MOLECULE
BindingDB_22429
 66 68 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        59.9236   36.8222   54.5083  C     
2    C        60.4396   35.5288   54.6938  C     
3    C        59.9909   34.7251   55.7592  C     
4    C        59.0580   35.1985   56.7345  C     
5    C        58.6717   36.5569   56.6092  C     
6    C        59.0601   37.3320   55.5013  C     
7    O        60.1896   37.6298   53.4306  O     
8    C        60.6595   37.0832   52.1730  C     
9    C        62.1813   37.3513   51.9693  C     
10   N        62.4957   38.7080   51.3966  N     
11   C        62.5733   39.7968   52.4101  C     
12   C        63.7250   38.7011   50.5480  C     
13   C        58.5918   34.3574   57.7881  C     
14   C        57.3268   34.3459   58.3097  C     
15   C        56.3002   35.1397   57.7600  C     
16   C        54.7529   37.0504   57.9044  C     
17   C        55.7969   36.2739   58.4445  C     
18   C        55.7201   34.8045   56.5101  C     
19   C        54.6794   35.5790   55.9664  C     
20   C        54.2000   36.7069   56.6568  C     
21   C        56.7884   33.2693   59.1984  C     
22   C        59.5497   33.4821   58.2825  C     
23   C        59.5754   32.1344   57.8240  C     
24   C        60.5485   31.2462   58.3195  C     
25   C        61.4972   31.6764   59.2619  C     
26   C        61.4771   33.0185   59.7009  C     
27   C        60.5017   33.9127   59.2241  C     
28   O        62.4313   30.8016   59.7093  O     
29   C        57.4722   32.7779   60.5107  C     
30   C        57.8949   33.8194   61.5930  C     
31   S        57.1931   35.4882   61.5690  S     
32   C        58.4065   36.3608   60.5516  C     
33   H        61.1255   35.1456   54.0380  H     
34   H        60.3474   33.7695   55.7880  H     
35   H        58.0944   37.0069   57.3203  H     
36   H        58.6801   38.2673   55.4015  H     
37   H        60.4270   36.0110   52.0928  H     
38   H        60.1100   37.5655   51.3705  H     
39   H        62.6970   37.2183   52.9254  H     
40   H        62.5484   36.5616   51.2989  H     
41   H        61.7178   38.9427   50.7700  H     
42   H        61.6870   39.8326   53.0389  H     
43   H        62.6405   40.7683   51.9083  H     
44   H        63.4509   39.6789   53.0563  H     
45   H        64.6192   38.4968   51.1481  H     
46   H        63.8461   39.6735   50.0602  H     
47   H        63.6556   37.9497   49.7608  H     
48   H        54.4011   37.8723   58.4103  H     
49   H        56.1810   36.5552   59.3448  H     
50   H        56.0449   33.9856   55.9991  H     
51   H        54.2680   35.3268   55.0657  H     
52   H        53.4479   37.2729   56.2646  H     
53   H        55.7501   33.4709   59.4872  H     
54   H        56.7332   32.3931   58.5510  H     
55   H        58.9000   31.7916   57.1324  H     
56   H        60.5567   30.2718   57.9917  H     
57   H        62.1687   33.3428   60.3778  H     
58   H        60.5163   34.8833   59.5534  H     
59   H        62.6884   31.1064   60.6034  H     
60   H        56.7560   32.1126   61.0076  H     
61   H        58.3271   32.1377   60.2879  H     
62   H        57.6348   33.4163   62.5831  H     
63   H        58.9769   33.9027   61.5916  H     
64   H        59.4168   36.1262   60.8789  H     
65   H        58.2418   37.4268   60.6477  H     
66   H        58.2845   36.0877   59.5100  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 1
    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
    66   32   64 1
    67   32   65 1
    68   32   66 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.6690
  Crash		| -7.6151
  Polar		| 1.1433
  FragIndex	| 1
  FragRMSD	| 0.883