@<TRIPOS>MOLECULE
BindingDB_50053094
 43 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.6385    4.4424  -10.0332  C     
2    C         5.2470    3.4335  -10.9246  C     
3    C         4.7842    4.8736   -9.0655  C     
4    C         6.1018    2.4208  -11.2615  C     
5    C         2.6015   10.5046   -6.1249  C     
6    C         2.2700   11.5704   -5.3180  C     
7    C         4.9309    5.9078   -8.1652  C     
8    C         3.8372    7.8471   -7.2414  C     
9    C         3.8447   10.0985   -6.5049  C     
10   C         3.9902    6.8941   -8.1956  C     
11   C         3.9629    9.1636   -7.4834  C     
12   O         3.0185   12.6961   -5.2400  O     
13   O         1.0061   11.6517   -4.8260  O     
14   C         7.0467    4.8801  -10.1252  C     
15   C         3.9288    3.5296  -11.5637  C     
16   C         7.5343    2.4811  -10.9153  C     
17   C         5.6926    1.2686  -12.0731  C     
18   C         7.9685    3.6378   -9.9810  C     
19   C         5.9335    5.8021   -7.1056  C     
20   C         5.0831   10.5537   -5.8843  C     
21   H         3.9160    4.3810   -8.9707  H     
22   H         1.8225    9.9710   -6.4659  H     
23   H         3.6032    7.5455   -6.3203  H     
24   H         3.3498    6.9569   -8.9652  H     
25   H         4.2198    9.4778   -8.4005  H     
26   H         7.2268    5.3677  -11.0980  H     
27   H         7.3547    5.5713   -9.3414  H     
28   H         3.3151    2.6738  -11.2722  H     
29   H         4.0480    3.5409  -12.6505  H     
30   H         3.3880    4.4456  -11.3005  H     
31   H         7.8271    1.5433  -10.4427  H     
32   H         8.0898    2.5714  -11.8537  H     
33   H         4.8203    0.7787  -11.6333  H     
34   H         6.4727    0.5094  -12.1439  H     
35   H         5.4465    1.5840  -13.0908  H     
36   H         9.0055    3.9231  -10.1843  H     
37   H         7.9119    3.2914   -8.9374  H     
38   H         6.0239    4.7559   -6.7696  H     
39   H         5.7332    6.4346   -6.2105  H     
40   H         6.8889    6.1672   -7.5458  H     
41   H         5.3531   11.5343   -6.2691  H     
42   H         5.9175    9.8750   -6.0827  H     
43   H         4.9671   10.6046   -4.8022  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1   14 1
     4    2    4 2
     5    2   15 1
     6    3    7 1
     7    4   16 1
     8    4   17 1
     9    5    6 1
    10    5    9 2
    11    6   12 2
    12    6   13 1
    13    7   10 2
    14    7   19 1
    15    8   10 1
    16    8   11 2
    17    9   11 1
    18    9   20 1
    19   14   18 1
    20   16   18 1
    21    3   21 1
    22    5   22 1
    23    8   23 1
    24   10   24 1
    25   11   25 1
    26   14   26 1
    27   14   27 1
    28   15   28 1
    29   15   29 1
    30   15   30 1
    31   16   31 1
    32   16   32 1
    33   17   33 1
    34   17   34 1
    35   17   35 1
    36   18   36 1
    37   18   37 1
    38   19   38 1
    39   19   39 1
    40   19   40 1
    41   20   41 1
    42   20   42 1
    43   20   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.6991
  Crash		| -1.4089
  Polar		| 1.6105
  FragIndex	| 1
  FragRMSD	| 1.016