@<TRIPOS>MOLECULE
BindingDB_16504
 69 71 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.2977   18.3750   -4.5194  C     
2    C        13.6450   18.0650   -6.8734  C     
3    O        14.7749   17.7462   -7.2144  O     
4    C        12.6241   18.0611   -7.8993  C     
5    C        11.1843   17.9221   -7.4300  C     
6    C        10.0955   18.4723   -8.1935  C     
7    O        10.3420   19.3151   -9.0499  O     
8    N         8.8655   18.1177   -7.8513  N     
9    C         7.6274   18.6137   -8.3831  C     
10   C         7.1451   19.6054   -7.3942  C     
11   O         7.1202   20.7687   -7.7830  O     
12   C         6.6258   17.4776   -8.8421  C     
13   C         6.7020   17.2668  -10.3844  C     
14   O        11.8689   16.8689   -8.1261  O     
15   N        13.3679   18.3619   -5.6096  N     
16   C         6.7576   16.0858   -8.1272  C     
17   C         5.4341   15.3241   -7.8537  C     
18   C         7.8181   19.6804   -3.7727  C     
19   C         7.8437   20.3178   -5.1728  C     
20   C         6.7251   18.2284   -5.3677  C     
21   C         7.5425   18.2015   -4.0589  C     
22   N         7.1558   19.4112   -6.0604  N     
23   C         5.2550   18.2376   -5.1494  C     
24   O         4.6870   19.1112   -4.2858  O     
25   O         4.5007   17.4543   -5.9624  O     
26   C        15.2883   19.5721   -4.5322  C     
27   C        14.6780   20.8840   -3.9916  C     
28   C         3.0802   17.3643   -6.0947  C     
29   C         2.7294   18.0062   -7.3850  C     
30   C         2.2905   19.1344   -9.9423  C     
31   C         3.1786   19.7527   -9.0460  C     
32   C         3.3962   19.1920   -7.7747  C     
33   C         1.8156   17.4096   -8.2869  C     
34   C         1.5942   17.9754   -9.5574  C     
35   H        13.7203   18.4100   -3.5937  H     
36   H        14.8601   17.4376   -4.5156  H     
37   H        12.7518   18.6910   -8.7838  H     
38   H        10.9805   17.6187   -6.4015  H     
39   H         8.7923   17.4793   -7.1253  H     
40   H         7.8776   19.1626   -9.2986  H     
41   H         5.6147   17.8065   -8.6558  H     
42   H         6.6254   18.2241  -10.9054  H     
43   H         5.8862   16.6283  -10.7272  H     
44   H         7.6498   16.7994  -10.6633  H     
45   H        12.4447   18.5790   -5.3980  H     
46   H         7.3605   15.4134   -8.7435  H     
47   H         7.2964   16.2137   -7.1849  H     
48   H         4.8105   15.8510   -7.1342  H     
49   H         5.6635   14.3424   -7.4334  H     
50   H         4.8662   15.1708   -8.7777  H     
51   H         8.7659   19.8142   -3.2460  H     
52   H         7.0113   20.1050   -3.1720  H     
53   H         7.3801   21.3052   -5.1428  H     
54   H         8.8859   20.4256   -5.4966  H     
55   H         6.9959   17.3422   -5.9280  H     
56   H         8.4915   17.6817   -4.2209  H     
57   H         7.0186   17.7130   -3.2333  H     
58   H        16.1512   19.3137   -3.9150  H     
59   H        15.6526   19.7421   -5.5467  H     
60   H        13.8018   21.1658   -4.5766  H     
61   H        15.4117   21.6919   -4.0550  H     
62   H        14.3857   20.7605   -2.9480  H     
63   H         2.8102   16.3039   -6.0786  H     
64   H         2.5572   17.8556   -5.2707  H     
65   H         2.1681   19.5161  -10.8817  H     
66   H         3.6851   20.5952   -9.3256  H     
67   H         4.0712   19.6392   -7.1486  H     
68   H         1.3305   16.5434   -8.0395  H     
69   H         0.9519   17.5262  -10.2139  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   26 1
     3    2    3 2
     4    4    2 1
     5    2   15 am
     6    4    5 1
     7    4   14 1
     8    5    6 1
     9    5   14 1
    10    6    7 2
    11    6    8 am
    12    8    9 1
    13    9   10 1
    14    9   12 1
    15   10   11 2
    16   10   22 am
    17   12   13 1
    18   12   16 1
    19   16   17 1
    20   18   19 1
    21   18   21 1
    22   19   22 1
    23   20   21 1
    24   20   22 1
    25   20   23 1
    26   23   24 2
    27   23   25 1
    28   25   28 1
    29   26   27 1
    30   28   29 1
    31   29   32 2
    32   29   33 1
    33   30   31 2
    34   30   34 1
    35   31   32 1
    36   33   34 2
    37    1   35 1
    38    1   36 1
    39    4   37 1
    40    5   38 1
    41    8   39 1
    42    9   40 1
    43   12   41 1
    44   13   42 1
    45   13   43 1
    46   13   44 1
    47   15   45 1
    48   16   46 1
    49   16   47 1
    50   17   48 1
    51   17   49 1
    52   17   50 1
    53   18   51 1
    54   18   52 1
    55   19   53 1
    56   19   54 1
    57   20   55 1
    58   21   56 1
    59   21   57 1
    60   26   58 1
    61   26   59 1
    62   27   60 1
    63   27   61 1
    64   27   62 1
    65   28   63 1
    66   28   64 1
    67   30   65 1
    68   31   66 1
    69   32   67 1
    70   33   68 1
    71   34   69 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.1748
  Crash		| -3.5508
  Polar		| 3.9500
  FragIndex	| 1
  FragRMSD	| 1.382