@<TRIPOS>MOLECULE
BindingDB_16510
 47 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        10.0242   19.1738   -8.2578  C     
2    O        10.4915   19.7896   -9.3634  O     
3    C        10.9051   18.3338   -7.4488  C     
4    C        12.2386   17.8838   -8.0154  C     
5    C        13.2891   17.4984   -7.1054  C     
6    O        13.4685   16.3056   -6.9039  O     
7    N        14.0671   18.4283   -6.5813  N     
8    C        15.2099   18.3370   -5.7161  C     
9    O        14.8402   16.2827   -4.7100  O     
10   O        11.0786   17.0261   -8.0289  O     
11   C        14.9616   19.2571   -4.4748  C     
12   C        16.2444   19.9547   -3.9201  C     
13   C        16.5908   21.2682   -4.6852  C     
14   C        16.1103   20.2387   -2.3958  C     
15   C        15.6363   16.9892   -5.3206  C     
16   N        16.8697   16.5552   -5.5808  N     
17   C        17.4191   15.2629   -5.3029  C     
18   C        18.0197   14.6432   -6.5923  C     
19   C        18.8917   13.3641   -6.3858  C     
20   C        18.0498   12.1450   -5.9113  C     
21   C        19.6589   12.9999   -7.6842  C     
22   O         8.7178   19.3215   -7.9418  O     
23   H        10.7291   18.2729   -6.3724  H     
24   H        12.5113   18.2539   -9.0026  H     
25   H        13.8366   19.3379   -6.8358  H     
26   H        16.0139   18.7912   -6.2945  H     
27   H        14.2327   20.0377   -4.7292  H     
28   H        14.4935   18.6450   -3.6956  H     
29   H        17.1030   19.2800   -4.0332  H     
30   H        16.6563   21.0800   -5.7606  H     
31   H        17.5541   21.6635   -4.3478  H     
32   H        15.8220   22.0282   -4.5071  H     
33   H        15.2006   20.8199   -2.1907  H     
34   H        16.9774   20.7891   -2.0191  H     
35   H        16.0504   19.2906   -1.8488  H     
36   H        17.4599   17.1697   -6.0544  H     
37   H        18.2105   15.3681   -4.5404  H     
38   H        16.6585   14.5846   -4.8895  H     
39   H        17.1991   14.4079   -7.2703  H     
40   H        18.6221   15.4285   -7.0707  H     
41   H        19.6409   13.5849   -5.6120  H     
42   H        17.5807   12.3422   -4.9467  H     
43   H        18.6892   11.2670   -5.7936  H     
44   H        17.2666   11.9102   -6.6417  H     
45   H        18.9637   12.8180   -8.5120  H     
46   H        20.2580   12.0992   -7.5322  H     
47   H        20.3355   13.8096   -7.9710  H     
@<TRIPOS>BOND
     1    1    2 2
     2    3    1 1
     3    1   22 1
     4    3    4 1
     5    3   10 1
     6    4    5 1
     7    4   10 1
     8    5    6 2
     9    5    7 am
    10    7    8 1
    11    8   11 1
    12    8   15 1
    13    9   15 2
    14   11   12 1
    15   12   13 1
    16   12   14 1
    17   15   16 am
    18   16   17 1
    19   17   18 1
    20   18   19 1
    21   19   20 1
    22   19   21 1
    23    3   23 1
    24    4   24 1
    25    7   25 1
    26    8   26 1
    27   11   27 1
    28   11   28 1
    29   12   29 1
    30   13   30 1
    31   13   31 1
    32   13   32 1
    33   14   33 1
    34   14   34 1
    35   14   35 1
    36   16   36 1
    37   17   37 1
    38   17   38 1
    39   18   39 1
    40   18   40 1
    41   19   41 1
    42   20   42 1
    43   20   43 1
    44   20   44 1
    45   21   45 1
    46   21   46 1
    47   21   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.4261
  Crash		| -0.9454
  Polar		| 4.1372
  FragIndex	| 1
  FragRMSD	| 1.303