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


@<TRIPOS>ATOM
1    C        14.6484   20.3244   -4.7972  C     
2    C        16.0084   20.5405   -5.5017  C     
3    O        13.7474   19.3858   -5.4189  O     
4    C        13.8640   18.5102   -6.4546  C     
5    O        15.0240   18.3464   -7.1324  O     
6    C        12.7083   17.6909   -6.8543  C     
7    C        11.3212   18.2580   -6.6026  C     
8    C        10.2909   17.9454   -7.5539  C     
9    O        10.2530   18.5964   -8.5900  O     
10   N         9.3561   17.0630   -7.2332  N     
11   C         8.2123   16.7049   -8.0331  C     
12   C         7.4388   17.8681   -8.4883  C     
13   O         7.4666   18.8681   -7.7767  O     
14   C         7.3084   15.6714   -7.2660  C     
15   C         8.0145   14.2815   -7.1764  C     
16   C         6.8414   16.1643   -5.8542  C     
17   C         5.3428   15.9002   -5.5372  C     
18   O        11.8576   17.1828   -5.8184  O     
19   C         5.4599   17.2224  -11.5260  C     
20   C         6.6032   16.8440  -10.5698  C     
21   C         5.8097   19.0118   -9.9396  C     
22   C         5.4076   18.7527  -11.4162  C     
23   N         6.6608   17.8908   -9.5847  N     
24   C         4.6170   19.1420   -9.0571  C     
25   O         4.4194   18.3069   -8.0057  O     
26   O         3.7048   20.1154   -9.2754  O     
27   H        14.8330   19.9799   -3.7736  H     
28   H        14.1338   21.2872   -4.7386  H     
29   H        16.5355   19.5839   -5.5756  H     
30   H        16.6224   21.2475   -4.9263  H     
31   H        15.8499   20.9455   -6.5030  H     
32   H        12.8123   17.0226   -7.7098  H     
33   H        11.2730   19.2169   -6.0767  H     
34   H         9.4659   16.6017   -6.3909  H     
35   H         8.6059   16.2027   -8.9194  H     
36   H         6.4003   15.5078   -7.8577  H     
37   H         8.3034   13.9386   -8.1744  H     
38   H         7.3439   13.5266   -6.7506  H     
39   H         8.9124   14.3425   -6.5543  H     
40   H         7.4440   15.7044   -5.0600  H     
41   H         6.9780   17.2474   -5.7767  H     
42   H         4.7072   16.3610   -6.3086  H     
43   H         5.0837   16.3423   -4.5663  H     
44   H         5.1329   14.8255   -5.4972  H     
45   H         5.6553   16.8875  -12.5451  H     
46   H         4.5139   16.7967  -11.1743  H     
47   H         6.3907   15.8651  -10.1310  H     
48   H         7.5505   16.8000  -11.1132  H     
49   H         6.3767   19.9551   -9.8988  H     
50   H         6.1557   19.1963  -12.0850  H     
51   H         4.4172   19.1474  -11.6818  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	| 3.6706
  Crash		| -0.8665
  Polar		| 2.6543
  FragIndex	| 1
  FragRMSD	| 0.766