@<TRIPOS>MOLECULE
BindingDB_16499
 47 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.9815   19.3071   -7.4514  C     
2    C         4.9167   19.1713   -6.3481  C     
3    O         7.2871   19.0680   -6.9132  O     
4    C         8.4521   19.1740   -7.6061  C     
5    O         8.4639   19.5316   -8.9150  O     
6    C         9.7303   18.8677   -6.9563  C     
7    C        10.5477   17.7087   -7.5165  C     
8    C        11.9640   17.5346   -7.2928  C     
9    O        12.5662   16.8270   -8.1058  O     
10   N        12.6058   18.0747   -6.2672  N     
11   C        14.0414   18.1152   -6.0834  C     
12   C        14.6030   16.7980   -5.7545  C     
13   O        13.8902   15.9605   -5.2113  O     
14   C        14.4098   19.2471   -5.0508  C     
15   C        14.6294   18.7212   -3.6043  C     
16   C        15.6165   20.1366   -5.5296  C     
17   C        15.9486   21.3386   -4.6090  C     
18   O         9.7497   17.5743   -6.3209  O     
19   N        15.8852   16.5347   -5.9819  N     
20   C        16.5607   15.2927   -5.7174  C     
21   C        18.0926   15.5239   -5.7385  C     
22   C        16.1592   14.7056   -4.4236  C     
23   O        16.2619   15.4213   -3.2750  O     
24   O        15.6585   13.4468   -4.3590  O     
25   H         5.7700   18.5977   -8.2533  H     
26   H         5.9458   20.3202   -7.8618  H     
27   H         4.9004   18.1533   -5.9556  H     
28   H         3.9302   19.4102   -6.7551  H     
29   H         5.1348   19.8651   -5.5295  H     
30   H        10.1974   19.6255   -6.3233  H     
31   H        10.0962   17.1539   -8.3553  H     
32   H        12.0607   18.5511   -5.6209  H     
33   H        14.4396   18.4131   -7.0596  H     
34   H        13.5549   19.9327   -5.0036  H     
35   H        13.8727   17.9886   -3.3499  H     
36   H        14.5730   19.5427   -2.8909  H     
37   H        15.6124   18.2534   -3.5030  H     
38   H        16.5138   19.5191   -5.6401  H     
39   H        15.3770   20.5458   -6.5140  H     
40   H        15.0456   21.9152   -4.3865  H     
41   H        16.6726   21.9955   -5.1056  H     
42   H        16.3961   20.9924   -3.6735  H     
43   H        16.4066   17.2317   -6.4256  H     
44   H        16.3203   14.5936   -6.5241  H     
45   H        18.3959   15.8969   -6.7146  H     
46   H        18.6230   14.5870   -5.5491  H     
47   H        18.3886   16.2516   -4.9777  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   19 am
    17   14   15 1
    18   14   16 1
    19   16   17 1
    20   19   20 1
    21   20   21 1
    22   20   22 1
    23   22   23 2
    24   22   24 1
    25    1   25 1
    26    1   26 1
    27    2   27 1
    28    2   28 1
    29    2   29 1
    30    6   30 1
    31    7   31 1
    32   10   32 1
    33   11   33 1
    34   14   34 1
    35   15   35 1
    36   15   36 1
    37   15   37 1
    38   16   38 1
    39   16   39 1
    40   17   40 1
    41   17   41 1
    42   17   42 1
    43   19   43 1
    44   20   44 1
    45   21   45 1
    46   21   46 1
    47   21   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.4973
  Crash		| -1.3139
  Polar		| 2.3596
  FragIndex	| 1
  FragRMSD	| 0.985