@<TRIPOS>MOLECULE
BindingDB_16501
 51 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.4917   19.0885   -4.5318  C     
2    C        14.8185   20.5909   -4.4412  C     
3    O        13.4593   18.8654   -5.5036  O     
4    C        13.5543   18.2029   -6.6852  C     
5    O        14.7272   17.6889   -7.1099  O     
6    C        12.3845   18.0716   -7.5731  C     
7    C        11.0245   18.6171   -7.1816  C     
8    C        10.0294   18.8304   -8.2019  C     
9    O        10.3594   19.3868   -9.2384  O     
10   N         8.8008   18.3891   -7.9837  N     
11   C         7.7548   18.2025   -8.9556  C     
12   C         6.6770   19.1179   -8.5881  C     
13   O         6.8887   20.3179   -8.6903  O     
14   C         7.4898   16.6550   -8.9732  C     
15   C         6.6540   16.1201  -10.1682  C     
16   O        11.3660   17.2341   -7.0264  O     
17   N         5.5237   18.6698   -8.0842  N     
18   C         4.4231   19.4519   -7.6100  C     
19   C         4.0409   18.8884   -6.2953  C     
20   O         4.0036   19.6552   -5.1865  O     
21   O         3.7301   17.5789   -6.1603  O     
22   C         3.1930   19.5564   -8.5969  C     
23   C         2.7413   21.0410   -8.7582  C     
24   O         8.7446   15.9628   -9.0152  O     
25   C         3.2953   18.8630   -9.9980  C     
26   C         4.4886   19.2561  -10.9054  C     
27   H        15.4060   18.5416   -4.7775  H     
28   H        14.1372   18.7349   -3.5646  H     
29   H        15.1769   20.9508   -5.4111  H     
30   H        15.5956   20.7595   -3.6936  H     
31   H        13.9299   21.1525   -4.1614  H     
32   H        12.5560   17.8396   -8.6235  H     
33   H        10.8846   19.0919   -6.2063  H     
34   H         8.6222   18.0312   -7.0943  H     
35   H         8.0841   18.4811   -9.9578  H     
36   H         6.9882   16.3638   -8.0463  H     
37   H         5.6199   16.4722  -10.1038  H     
38   H         6.6269   15.0280  -10.1533  H     
39   H         7.0970   16.4501  -11.1189  H     
40   H         5.4112   17.7061   -8.0327  H     
41   H         4.7866   20.4603   -7.4113  H     
42   H         2.3368   19.0535   -8.1274  H     
43   H         2.5848   21.5024   -7.7832  H     
44   H         1.8039   21.1065   -9.3124  H     
45   H         3.5037   21.6159   -9.2751  H     
46   H         8.5428   15.0373   -8.7610  H     
47   H         3.3222   17.7757   -9.8506  H     
48   H         2.3712   19.0774  -10.5596  H     
49   H         4.7288   20.3185  -10.8173  H     
50   H         4.2461   19.0352  -11.9479  H     
51   H         5.3645   18.6621  -10.6203  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   16 1
     8    7    8 1
     9    7   16 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   17 am
    17   14   15 1
    18   14   24 1
    19   17   18 1
    20   18   19 1
    21   18   22 1
    22   19   20 2
    23   19   21 1
    24   22   23 1
    25   22   25 1
    26   25   26 1
    27    1   27 1
    28    1   28 1
    29    2   29 1
    30    2   30 1
    31    2   31 1
    32    6   32 1
    33    7   33 1
    34   10   34 1
    35   11   35 1
    36   14   36 1
    37   15   37 1
    38   15   38 1
    39   15   39 1
    40   17   40 1
    41   18   41 1
    42   22   42 1
    43   23   43 1
    44   23   44 1
    45   23   45 1
    46   24   46 1
    47   25   47 1
    48   25   48 1
    49   26   49 1
    50   26   50 1
    51   26   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5423
  Crash		| -3.1350
  Polar		| 4.3467
  FragIndex	| 1
  FragRMSD	| 0.571