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


@<TRIPOS>ATOM
1    C         6.9320   19.8954   -7.0455  C     
2    C         6.1294   19.6629   -8.3408  C     
3    O         8.0849   19.0545   -6.9199  O     
4    C         9.1609   18.9931   -7.7406  C     
5    O         9.2774   19.8086   -8.8196  O     
6    C        10.2306   18.0410   -7.4078  C     
7    C        11.4474   17.8057   -8.2867  C     
8    C        12.5954   17.2104   -7.6492  C     
9    O        12.6955   15.9959   -7.7062  O     
10   N        13.4454   17.9765   -6.9779  N     
11   C        14.6001   17.5555   -6.1897  C     
12   C        14.3320   16.4479   -5.2382  C     
13   O        13.1585   16.2909   -4.8717  O     
14   C        15.2221   18.8236   -5.4927  C     
15   C        15.9120   19.7548   -6.5297  C     
16   C        14.2276   19.5989   -4.5694  C     
17   C        14.8176   20.8348   -3.8543  C     
18   O        10.2705   16.9990   -8.3874  O     
19   C        16.0759   13.6292   -3.6450  C     
20   C        14.8220   14.4610   -3.9295  C     
21   C        16.6623   15.5488   -4.9873  C     
22   C        17.1984   14.6400   -3.8657  C     
23   N        15.2359   15.5506   -4.7815  N     
24   C        17.1250   15.0628   -6.3061  C     
25   O        18.2511   15.5717   -6.8552  O     
26   O        16.5696   13.9767   -6.9066  O     
27   H         7.2427   20.9418   -6.9706  H     
28   H         6.2843   19.6688   -6.1939  H     
29   H         6.7446   19.8732   -9.2144  H     
30   H         5.2632   20.3256   -8.3572  H     
31   H         5.7872   18.6281   -8.3844  H     
32   H        10.2055   17.5999   -6.4052  H     
33   H        11.6218   18.5147   -9.0940  H     
34   H        13.2676   18.9286   -7.0134  H     
35   H        15.3175   17.1727   -6.9125  H     
36   H        16.0232   18.5110   -4.8389  H     
37   H        16.6231   19.1905   -7.1422  H     
38   H        16.4824   20.5467   -6.0356  H     
39   H        15.1750   20.2193   -7.1935  H     
40   H        13.3628   19.9309   -5.1493  H     
41   H        13.8789   18.9097   -3.8010  H     
42   H        15.7751   20.5920   -3.3817  H     
43   H        14.1269   21.1687   -3.0748  H     
44   H        14.9589   21.6643   -4.5541  H     
45   H        16.0763   13.2407   -2.6258  H     
46   H        16.1547   12.8077   -4.3584  H     
47   H        14.0595   13.8479   -4.4243  H     
48   H        14.4043   14.8587   -2.9950  H     
49   H        17.1026   16.5181   -4.8363  H     
50   H        17.3426   15.2308   -2.9567  H     
51   H        18.1445   14.1398   -4.1008  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	| 3.4177
  Crash		| -1.8261
  Polar		| 1.5435
  FragIndex	| 1
  FragRMSD	| 1.492