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


@<TRIPOS>ATOM
1    C         6.6918   19.9898   -8.2365  C     
2    C         8.9108   18.9123   -8.0838  C     
3    O         9.4449   19.7202   -9.0251  O     
4    C         9.7494   17.9282   -7.3928  C     
5    C        11.1828   17.6883   -7.8365  C     
6    C        12.1238   17.0140   -6.9814  C     
7    O        12.8961   16.2098   -7.4923  O     
8    N        12.1509   17.2844   -5.6817  N     
9    C        12.9956   16.6610   -4.7070  C     
10   C        14.4110   16.8345   -4.9917  C     
11   O        14.7865   18.0033   -5.0251  O     
12   O        10.1030   16.8305   -8.2328  O     
13   C        17.1345   14.7914   -6.3086  C     
14   C        16.6137   16.1288   -5.7520  C     
15   C        15.0675   14.4366   -5.0866  C     
16   C        16.4086   13.7513   -5.4582  C     
17   N        15.3038   15.8564   -5.2353  N     
18   C        14.6351   14.0174   -3.7405  C     
19   O        13.5379   13.2376   -3.5709  O     
20   O        15.2875   14.4592   -2.6308  O     
21   C         5.2406   19.5767   -7.9331  C     
22   O         7.6106   19.0264   -7.7087  O     
23   H         6.8260   20.0796   -9.3215  H     
24   H         6.9006   20.9574   -7.7727  H     
25   H         9.4569   17.5932   -6.3986  H     
26   H        11.5733   18.2257   -8.7047  H     
27   H        11.5161   17.9431   -5.3471  H     
28   H        12.7784   17.1117   -3.7339  H     
29   H        12.7148   15.6095   -4.6371  H     
30   H        16.8470   14.6813   -7.3567  H     
31   H        18.2231   14.7150   -6.2220  H     
32   H        17.2637   16.5019   -4.9523  H     
33   H        16.5838   16.8676   -6.5636  H     
34   H        14.3117   14.1348   -5.8244  H     
35   H        16.2492   12.8240   -6.0159  H     
36   H        17.0229   13.5309   -4.5786  H     
37   H         5.0069   18.6336   -8.4254  H     
38   H         4.5587   20.3451   -8.2963  H     
39   H         5.1036   19.4608   -6.8571  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	| 1.3402
  Crash		| -0.9501
  Polar		| 1.6750
  FragIndex	| 1
  FragRMSD	| 1.233