@<TRIPOS>MOLECULE
BindingDB_16506
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.6737   18.9401   -8.3227  C     
2    C        10.1763   18.9073   -8.1916  C     
3    O        10.3728   19.8774   -9.1170  O     
4    C        11.3220   18.3694   -7.4498  C     
5    C        12.6492   18.0822   -8.1294  C     
6    C        13.8559   18.0397   -7.3318  C     
7    O        14.8744   18.4981   -7.8339  O     
8    N        13.8661   17.4907   -6.1263  N     
9    C        14.9734   17.3540   -5.2308  C     
10   C        15.1268   15.9565   -4.8384  C     
11   O        14.1364   15.4613   -4.3058  O     
12   O        11.6726   17.0497   -7.9018  O     
13   C        18.2461   14.3453   -5.8902  C     
14   C        17.4196   15.6210   -5.6636  C     
15   C        16.3608   13.8551   -4.4549  C     
16   C        17.8238   13.4357   -4.7331  C     
17   N        16.2383   15.2037   -4.9664  N     
18   C        16.0427   13.7120   -3.0118  C     
19   O        15.0905   12.8452   -2.6012  O     
20   O        16.6033   14.5378   -2.0979  O     
21   C         7.3786   20.3582   -7.7998  C     
22   O         8.9339   18.4710   -7.8433  O     
23   H         6.9073   18.2659   -7.9411  H     
24   H         7.6378   18.9173   -9.4143  H     
25   H        11.2915   18.4281   -6.3565  H     
26   H        12.7067   18.4406   -9.1568  H     
27   H        13.0188   17.1540   -5.7977  H     
28   H        15.8931   17.7748   -5.6436  H     
29   H        14.7444   17.9374   -4.3349  H     
30   H        17.9689   13.8826   -6.8439  H     
31   H        19.3196   14.5473   -5.8862  H     
32   H        17.9743   16.3372   -5.0516  H     
33   H        17.1865   16.0662   -6.6341  H     
34   H        15.6940   13.2069   -5.0357  H     
35   H        17.9013   12.3785   -5.0076  H     
36   H        18.4818   13.6278   -3.8767  H     
37   H         7.5048   20.3950   -6.7144  H     
38   H         6.3512   20.6464   -8.0428  H     
39   H         8.0612   21.0834   -8.2565  H     
@<TRIPOS>BOND
     1    1   21 1
     2    1   22 1
     3    2    3 2
     4    4    2 1
     5    2   22 1
     6    4    5 1
     7    4   12 1
     8    5    6 1
     9    5   12 1
    10    6    7 2
    11    6    8 am
    12    8    9 1
    13    9   10 1
    14   10   11 2
    15   10   17 am
    16   13   14 1
    17   13   16 1
    18   14   17 1
    19   15   16 1
    20   15   17 1
    21   15   18 1
    22   18   19 2
    23   18   20 1
    24    1   23 1
    25    1   24 1
    26    4   25 1
    27    5   26 1
    28    8   27 1
    29    9   28 1
    30    9   29 1
    31   13   30 1
    32   13   31 1
    33   14   32 1
    34   14   33 1
    35   15   34 1
    36   16   35 1
    37   16   36 1
    38   21   37 1
    39   21   38 1
    40   21   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.8427
  Crash		| -0.9469
  Polar		| 2.7984
  FragIndex	| 1
  FragRMSD	| 0.519