@<TRIPOS>MOLECULE
BindingDB_16500
 56 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.6592   19.6480   -8.8912  C     
2    C         5.5735   19.8217  -10.4250  C     
3    O         7.0016   19.7459   -8.3862  O     
4    C         7.9952   18.8320   -8.5434  C     
5    O         7.8149   17.6956   -9.2556  O     
6    C         9.3322   19.1332   -8.0299  C     
7    C        10.1155   18.0408   -7.3180  C     
8    C        11.5546   18.0930   -7.3922  C     
9    O        12.0746   17.9070   -8.4842  O     
10   N        12.2595   18.1762   -6.2717  N     
11   C        13.7051   18.1063   -6.1495  C     
12   C        14.0928   16.7502   -5.7523  C     
13   O        13.2508   15.9557   -5.3400  O     
14   C        14.2148   19.2643   -5.2008  C     
15   C        14.4400   18.7936   -3.7340  C     
16   C        15.4700   19.9994   -5.7857  C     
17   C        16.0846   21.0822   -4.8612  C     
18   O         9.4331   19.0845   -6.6046  O     
19   N        15.3653   16.3575   -5.8435  N     
20   C        15.8503   15.0251   -5.5820  C     
21   C        15.9450   14.7703   -4.1151  C     
22   O        15.8731   13.5013   -3.6425  O     
23   O        16.4750   15.7172   -3.3000  O     
24   C        17.1862   14.7644   -6.3692  C     
25   C        18.4706   15.1524   -5.5679  C     
26   C        17.2381   13.3163   -6.9766  C     
27   C        18.5229   12.9596   -7.7589  C     
28   H         5.0630   20.4327   -8.4187  H     
29   H         5.2337   18.6812   -8.6044  H     
30   H         5.9157   20.8120  -10.7178  H     
31   H         4.5419   19.6969  -10.7517  H     
32   H         6.1809   19.0752  -10.9318  H     
33   H         9.8603   20.0036   -8.4353  H     
34   H         9.6305   17.0621   -7.2599  H     
35   H        11.7605   18.2550   -5.4400  H     
36   H        14.1323   18.2666   -7.1471  H     
37   H        13.4218   20.0264   -5.1633  H     
38   H        13.6281   18.1359   -3.4167  H     
39   H        14.4738   19.6537   -3.0580  H     
40   H        15.3819   18.2455   -3.6495  H     
41   H        16.2526   19.2695   -6.0202  H     
42   H        15.1843   20.5003   -6.7201  H     
43   H        15.3123   21.7564   -4.4862  H     
44   H        16.8187   21.6607   -5.4237  H     
45   H        16.5971   20.6110   -4.0130  H     
46   H        16.0070   16.9947   -6.1869  H     
47   H        15.0888   14.3309   -5.9739  H     
48   H        17.1646   15.4251   -7.2388  H     
49   H        18.3371   16.1314   -5.0939  H     
50   H        19.3386   15.2183   -6.2283  H     
51   H        18.6784   14.4128   -4.7885  H     
52   H        17.0905   12.5744   -6.1895  H     
53   H        16.4017   13.2231   -7.6880  H     
54   H        18.8114   13.7828   -8.4178  H     
55   H        18.3382   12.0675   -8.3692  H     
56   H        19.3475   12.7422   -7.0696  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    3    4 1
     4    4    5 2
     5    6    4 1
     6    6    7 1
     7    6   18 1
     8    7    8 1
     9    7   18 1
    10    8    9 2
    11    8   10 am
    12   10   11 1
    13   11   12 1
    14   11   14 1
    15   12   13 2
    16   12   19 am
    17   14   15 1
    18   14   16 1
    19   16   17 1
    20   19   20 1
    21   20   21 1
    22   20   24 1
    23   21   22 2
    24   21   23 1
    25   24   25 1
    26   24   26 1
    27   26   27 1
    28    1   28 1
    29    1   29 1
    30    2   30 1
    31    2   31 1
    32    2   32 1
    33    6   33 1
    34    7   34 1
    35   10   35 1
    36   11   36 1
    37   14   37 1
    38   15   38 1
    39   15   39 1
    40   15   40 1
    41   16   41 1
    42   16   42 1
    43   17   43 1
    44   17   44 1
    45   17   45 1
    46   19   46 1
    47   20   47 1
    48   24   48 1
    49   25   49 1
    50   25   50 1
    51   25   51 1
    52   26   52 1
    53   26   53 1
    54   27   54 1
    55   27   55 1
    56   27   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0615
  Crash		| -1.7956
  Polar		| 1.1108
  FragIndex	| 1
  FragRMSD	| 0.817