@<TRIPOS>MOLECULE
BindingDB_16510
 47 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.9889   18.4098   -6.1273  C     
2    O        14.9787   18.0888   -6.9886  O     
3    C        12.6504   17.8396   -6.3061  C     
4    C        11.9402   17.9924   -7.6385  C     
5    C        10.9431   17.0179   -7.9648  C     
6    O        11.3286   15.9389   -8.4044  O     
7    N         9.6643   17.3136   -7.8081  N     
8    C         8.5460   16.4655   -8.0783  C     
9    O         6.8825   18.0730   -8.0160  O     
10   O        11.6628   18.8565   -6.5333  O     
11   C         8.1403   15.7115   -6.7709  C     
12   C         7.6130   16.5820   -5.5674  C     
13   C         6.1965   16.1341   -5.1116  C     
14   C         8.5897   16.6216   -4.3590  C     
15   C         7.5117   17.2775   -8.7084  C     
16   N         7.3365   17.2389  -10.0259  N     
17   C         6.4052   18.0234  -10.7812  C     
18   C         5.1809   17.1582  -11.1906  C     
19   C         3.7952   17.7974  -10.8793  C     
20   C         3.5429   19.1328  -11.6332  C     
21   C         2.6517   16.7832  -11.1576  C     
22   O        14.2718   19.1802   -5.0569  O     
23   H        12.2970   17.0835   -5.6020  H     
24   H        12.5398   18.4164   -8.4477  H     
25   H         9.4607   18.1845   -7.4242  H     
26   H         8.8455   15.6874   -8.7911  H     
27   H         7.4058   14.9541   -7.0512  H     
28   H         9.0091   15.1366   -6.4407  H     
29   H         7.5185   17.6272   -5.8808  H     
30   H         5.5143   16.1124   -5.9633  H     
31   H         5.7941   16.8316   -4.3726  H     
32   H         6.2330   15.1370   -4.6674  H     
33   H         8.7349   15.6232   -3.9411  H     
34   H         8.1982   17.2760   -3.5724  H     
35   H         9.5606   17.0181   -4.6668  H     
36   H         7.8572   16.5837  -10.5268  H     
37   H         6.0948   18.9162  -10.2317  H     
38   H         6.9152   18.3761  -11.6750  H     
39   H         5.2464   16.9242  -12.2566  H     
40   H         5.2230   16.2049  -10.6589  H     
41   H         3.7638   18.0259   -9.8091  H     
42   H         4.2993   19.8722  -11.3680  H     
43   H         2.5686   19.5421  -11.3489  H     
44   H         3.5641   18.9922  -12.7157  H     
45   H         2.6640   16.4659  -12.2034  H     
46   H         1.6777   17.2261  -10.9338  H     
47   H         2.7723   15.9045  -10.5212  H     
@<TRIPOS>BOND
     1    1    2 2
     2    3    1 1
     3    1   22 1
     4    3    4 1
     5    3   10 1
     6    4    5 1
     7    4   10 1
     8    5    6 2
     9    5    7 am
    10    7    8 1
    11    8   11 1
    12    8   15 1
    13    9   15 2
    14   11   12 1
    15   12   13 1
    16   12   14 1
    17   15   16 am
    18   16   17 1
    19   17   18 1
    20   18   19 1
    21   19   20 1
    22   19   21 1
    23    3   23 1
    24    4   24 1
    25    7   25 1
    26    8   26 1
    27   11   27 1
    28   11   28 1
    29   12   29 1
    30   13   30 1
    31   13   31 1
    32   13   32 1
    33   14   33 1
    34   14   34 1
    35   14   35 1
    36   16   36 1
    37   17   37 1
    38   17   38 1
    39   18   39 1
    40   18   40 1
    41   19   41 1
    42   20   42 1
    43   20   43 1
    44   20   44 1
    45   21   45 1
    46   21   46 1
    47   21   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.9694
  Crash		| -1.6622
  Polar		| 1.4742
  FragIndex	| 1
  FragRMSD	| 1.213