@<TRIPOS>MOLECULE
BindingDB_16508
 51 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.1344   15.8638   -5.4502  C     
2    C        16.9447   16.9544   -4.7210  C     
3    O        14.7356   16.1858   -5.5004  O     
4    C        14.1296   17.1260   -6.2713  C     
5    O        14.8419   17.8711   -7.1499  O     
6    C        12.6842   17.3427   -6.1176  C     
7    C        11.8655   18.1044   -7.1372  C     
8    C        10.4409   17.8804   -7.1798  C     
9    O        10.0261   17.1487   -8.0751  O     
10   N         9.6174   18.3975   -6.2721  N     
11   C         8.1958   18.1512   -6.1789  C     
12   C         7.4439   18.9203   -7.1852  C     
13   O         7.5774   20.1409   -7.1103  O     
14   C         7.6793   18.3661   -4.7076  C     
15   C         8.5283   17.5461   -3.6866  C     
16   C         7.5800   19.8657   -4.2405  C     
17   C         6.1206   20.3847   -4.1598  C     
18   O        12.4117   18.7477   -5.9771  O     
19   C         5.5484   16.9339   -9.6629  C     
20   C         6.5257   17.0204   -8.4725  C     
21   C         5.9038   19.2538   -9.0692  C     
22   C         5.5971   18.3371  -10.2729  C     
23   N         6.6634   18.4189   -8.1649  N     
24   C         4.6736   19.8206   -8.4590  C     
25   O         3.9861   20.7757   -9.1158  O     
26   O         4.1518   19.3711   -7.2943  O     
27   H        16.5211   15.7143   -6.4607  H     
28   H        16.2370   14.9289   -4.9011  H     
29   H        16.8369   17.9170   -5.2236  H     
30   H        18.0033   16.6821   -4.7085  H     
31   H        16.5960   17.0555   -3.6911  H     
32   H        12.1559   16.7756   -5.3471  H     
33   H        12.3767   18.3822   -8.0651  H     
34   H        10.0289   18.9307   -5.5652  H     
35   H         8.0632   17.0859   -6.3675  H     
36   H         6.6796   17.9137   -4.6630  H     
37   H         8.5411   16.4892   -3.9604  H     
38   H         8.0934   17.6337   -2.6894  H     
39   H         9.5508   17.9112   -3.6488  H     
40   H         8.0262   20.0139   -3.2507  H     
41   H         8.1351   20.5104   -4.9287  H     
42   H         5.5818   20.1571   -5.0814  H     
43   H         6.1121   21.4661   -4.0075  H     
44   H         5.5970   19.9008   -3.3196  H     
45   H         5.8508   16.1711  -10.3872  H     
46   H         4.5402   16.7119   -9.3045  H     
47   H         6.1272   16.4652   -7.6176  H     
48   H         7.4960   16.6058   -8.7636  H     
49   H         6.5188   20.0868   -9.4273  H     
50   H         6.4207   18.3903  -10.9945  H     
51   H         4.6656   18.5922  -10.7864  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   23 am
    17   14   15 1
    18   14   16 1
    19   16   17 1
    20   19   20 1
    21   19   22 1
    22   20   23 1
    23   21   22 1
    24   21   23 1
    25   21   24 1
    26   24   25 2
    27   24   26 1
    28    1   27 1
    29    1   28 1
    30    2   29 1
    31    2   30 1
    32    2   31 1
    33    6   32 1
    34    7   33 1
    35   10   34 1
    36   11   35 1
    37   14   36 1
    38   15   37 1
    39   15   38 1
    40   15   39 1
    41   16   40 1
    42   16   41 1
    43   17   42 1
    44   17   43 1
    45   17   44 1
    46   19   45 1
    47   19   46 1
    48   20   47 1
    49   20   48 1
    50   21   49 1
    51   22   50 1
    52   22   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4851
  Crash		| -0.8041
  Polar		| 4.4330
  FragIndex	| 1
  FragRMSD	| 1.012