@<TRIPOS>MOLECULE
BindingDB_16509
 55 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.8405   18.8344   -4.6251  C     
2    C        14.2371   17.7997   -6.1796  C     
3    O        15.0103   17.8064   -7.1290  O     
4    C        12.9266   17.2492   -6.4106  C     
5    C        11.7280   18.1774   -6.2526  C     
6    C        10.4240   17.9159   -6.7910  C     
7    O        10.2830   17.1175   -7.7225  O     
8    N         9.3850   18.4335   -6.1479  N     
9    C         7.9889   18.1541   -6.3918  C     
10   C         7.4612   18.9851   -7.4838  C     
11   O         7.6238   20.1976   -7.3664  O     
12   C         7.1521   18.2289   -5.0624  C     
13   C         7.9793   17.7484   -3.8183  C     
14   C         6.4656   19.6146   -4.7702  C     
15   C         5.3809   19.5930   -3.6673  C     
16   O        12.0666   17.1778   -5.2655  O     
17   C         6.3607   17.3141  -10.5070  C     
18   C         6.8501   17.2099   -9.0495  C     
19   C         5.8747   19.3646   -9.3261  C     
20   C         5.3219   18.4395  -10.4370  C     
21   N         6.7566   18.5371   -8.5387  N     
22   C         4.7723   19.9952   -8.5564  C     
23   O         4.0178   20.9378   -9.1584  O     
24   O         4.1726   19.3366   -7.5378  O     
25   N        14.5876   18.2555   -4.9835  N     
26   C        15.9151   20.3649   -4.8887  C     
27   C        14.7213   21.1441   -4.2707  C     
28   H        15.9979   18.6615   -3.5574  H     
29   H        16.6566   18.3402   -5.1593  H     
30   H        12.8174   16.3862   -7.0698  H     
31   H        11.9304   19.1852   -5.8804  H     
32   H         9.6002   19.0154   -5.3933  H     
33   H         7.9318   17.0983   -6.6700  H     
34   H         6.3303   17.5018   -5.1729  H     
35   H         8.5182   16.8203   -4.0479  H     
36   H         7.3212   17.5517   -2.9629  H     
37   H         8.7141   18.5166   -3.5238  H     
38   H         7.2311   20.3578   -4.5026  H     
39   H         5.9503   19.9564   -5.6746  H     
40   H         4.7126   18.7373   -3.7975  H     
41   H         4.7887   20.5147   -3.7253  H     
42   H         5.8408   19.5422   -2.6729  H     
43   H         7.1815   17.6093  -11.1669  H     
44   H         5.9297   16.3776  -10.8614  H     
45   H         6.2137   16.5359   -8.4688  H     
46   H         7.8772   16.8308   -9.0540  H     
47   H         6.4599   20.1582   -9.7930  H     
48   H         5.2321   18.9589  -11.3981  H     
49   H         4.3486   18.0115  -10.1746  H     
50   H        13.9187   18.1976   -4.2852  H     
51   H        16.8402   20.7515   -4.4573  H     
52   H        15.9368   20.5635   -5.9611  H     
53   H        13.8062   20.9082   -4.8114  H     
54   H        14.9023   22.2262   -4.3332  H     
55   H        14.5955   20.8784   -3.2159  H     
@<TRIPOS>BOND
     1    1   25 1
     2    1   26 1
     3    2    3 2
     4    4    2 1
     5    2   25 am
     6    4    5 1
     7    4   16 1
     8    5    6 1
     9    5   16 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   21 am
    17   12   13 1
    18   12   14 1
    19   14   15 1
    20   17   18 1
    21   17   20 1
    22   18   21 1
    23   19   20 1
    24   19   21 1
    25   19   22 1
    26   22   23 2
    27   22   24 1
    28   26   27 1
    29    1   28 1
    30    1   29 1
    31    4   30 1
    32    5   31 1
    33    8   32 1
    34    9   33 1
    35   12   34 1
    36   13   35 1
    37   13   36 1
    38   13   37 1
    39   14   38 1
    40   14   39 1
    41   15   40 1
    42   15   41 1
    43   15   42 1
    44   17   43 1
    45   17   44 1
    46   18   45 1
    47   18   46 1
    48   19   47 1
    49   20   48 1
    50   20   49 1
    51   25   50 1
    52   26   51 1
    53   26   52 1
    54   27   53 1
    55   27   54 1
    56   27   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.6900
  Crash		| -1.1024
  Polar		| 3.5980
  FragIndex	| 1
  FragRMSD	| 0.951