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


@<TRIPOS>ATOM
1    C         7.7652   20.0124   -7.6760  C     
2    C         6.8992   19.1727   -8.6414  C     
3    O         8.9680   19.3396   -7.2909  O     
4    C        10.1270   19.2453   -7.9922  C     
5    O        10.2834   19.8560   -9.1921  O     
6    C        11.2386   18.4865   -7.4013  C     
7    C        12.5204   18.2366   -8.1784  C     
8    C        13.7483   18.0143   -7.4506  C     
9    O        14.7775   18.4502   -7.9516  O     
10   N        13.7466   17.3949   -6.2783  N     
11   C        14.8869   17.0411   -5.4762  C     
12   C        14.9367   15.6071   -5.2348  C     
13   O        13.9226   14.9197   -5.2738  O     
14   C        14.8573   17.8246   -4.1284  C     
15   C        14.8424   19.3645   -4.3022  C     
16   O        11.4827   17.2507   -8.0959  O     
17   N        16.1051   15.0600   -4.9320  N     
18   C        16.3885   13.6907   -4.6097  C     
19   C        16.4747   13.6408   -3.1268  C     
20   O        15.5811   12.9779   -2.3558  O     
21   O        17.4551   14.3332   -2.4941  O     
22   C        17.6447   13.1778   -5.4141  C     
23   C        17.2088   12.5300   -6.7632  C     
24   O        13.7507   17.4098   -3.3222  O     
25   C        18.7931   14.2311   -5.6084  C     
26   C        18.7127   15.1557   -6.8491  C     
27   H         8.0032   20.9788   -8.1276  H     
28   H         7.1909   20.1883   -6.7674  H     
29   H         7.4240   18.9793   -9.5806  H     
30   H         5.9747   19.7121   -8.8635  H     
31   H         6.6469   18.2151   -8.1771  H     
32   H        11.2402   18.3332   -6.3193  H     
33   H        12.5811   18.7242   -9.1550  H     
34   H        12.8880   17.1530   -5.9152  H     
35   H        15.8164   17.3048   -5.9994  H     
36   H        15.7560   17.5879   -3.5500  H     
37   H        15.6933   19.6872   -4.9106  H     
38   H        14.9048   19.8593   -3.3292  H     
39   H        13.9189   19.6906   -4.7966  H     
40   H        16.8680   15.6591   -4.8972  H     
41   H        15.5397   13.0367   -4.8556  H     
42   H        18.0597   12.3530   -4.8264  H     
43   H        16.5223   11.6989   -6.5956  H     
44   H        18.0802   12.1431   -7.2997  H     
45   H        16.7056   13.2588   -7.4075  H     
46   H        12.9630   17.9241   -3.6352  H     
47   H        18.8443   14.8646   -4.7152  H     
48   H        19.7416   13.6880   -5.6600  H     
49   H        18.9387   14.5940   -7.7554  H     
50   H        19.4322   15.9650   -6.7654  H     
51   H        17.7268   15.5991   -6.9560  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	| 4.5599
  Crash		| -1.6899
  Polar		| 3.6701
  FragIndex	| 1
  FragRMSD	| 0.702