@<TRIPOS>MOLECULE
BindingDB_11449
 48 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.1543   -9.7802    9.2377  C     
2    C         9.2029   -9.7763   10.1756  C     
3    C         9.7835  -10.9829   10.6417  C     
4    C         9.2200  -12.2013   10.2103  C     
5    C         8.1871  -12.2087    9.2524  C     
6    C         7.6681  -11.0034    8.7359  C     
7    N        10.8737  -11.0520   11.4607  N     
8    C        11.8060  -10.1262   11.7209  C     
9    C        12.2894   -9.3059   10.7572  C     
10   C        13.2966   -8.3901   10.9852  C     
11   C        13.4149   -9.2039   13.1830  C     
12   C        13.0482  -10.3502   14.9345  C     
13   N        13.8492   -8.3417   12.2266  N     
14   N        12.4185  -10.0811   12.9181  N     
15   N        12.1877  -10.7799   13.9942  N     
16   N        13.8196   -9.3670   14.4451  N     
17   N         4.9466  -11.4272    8.1063  N     
18   S         6.4585  -11.0382    7.4825  S     
19   O         6.3459   -9.6162    6.7758  O     
20   O         6.7944  -12.0930    6.3462  O     
21   C        13.5751   -7.6798    8.5602  C     
22   C        14.5156   -8.8172    6.4582  C     
23   C        13.1506   -8.6142    5.7326  C     
24   C        12.3150   -7.4537    6.3393  C     
25   C        12.1566   -7.6408    7.8679  C     
26   C        14.3731   -8.8890    8.0065  C     
27   N        13.7519   -7.5775    9.9969  N     
28   H         7.7756   -8.8839    8.9130  H     
29   H         9.5311   -8.8725   10.5219  H     
30   H         9.6009  -13.0927   10.5357  H     
31   H         7.8354  -13.0999    8.9030  H     
32   H        11.0371  -11.9192   11.8731  H     
33   H        11.9573   -9.3760    9.8406  H     
34   H        13.0944  -10.7006   15.8943  H     
35   H         4.2361  -10.7715    8.0530  H     
36   H         4.9013  -12.1006    8.8136  H     
37   H        14.0984   -6.7859    8.2006  H     
38   H        14.9883   -9.7412    6.1098  H     
39   H        15.1767   -7.9850    6.1920  H     
40   H        13.3285   -8.4047    4.6739  H     
41   H        12.5791   -9.5425    5.7917  H     
42   H        12.8054   -6.4964    6.1311  H     
43   H        11.3335   -7.4359    5.8637  H     
44   H        11.5469   -8.5660    8.0237  H     
45   H        11.5951   -6.8028    8.2906  H     
46   H        15.3761   -8.8983    8.4470  H     
47   H        13.8755   -9.8218    8.2904  H     
48   H        14.3768   -6.8974   10.2852  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    6   18 1
     9    7    8 1
    10    8    9 2
    11    8   14 1
    12    9   10 1
    13   10   13 2
    14   10   27 1
    15   11   13 1
    16   11   14 1
    17   11   16 2
    18   12   15 2
    19   12   16 1
    20   14   15 1
    21   17   18 am
    22   18   19 2
    23   18   20 2
    24   21   25 1
    25   21   26 1
    26   21   27 1
    27   22   23 1
    28   22   26 1
    29   23   24 1
    30   24   25 1
    31    1   28 1
    32    2   29 1
    33    4   30 1
    34    5   31 1
    35    7   32 1
    36    9   33 1
    37   12   34 1
    38   17   35 1
    39   17   36 1
    40   21   37 1
    41   22   38 1
    42   22   39 1
    43   23   40 1
    44   23   41 1
    45   24   42 1
    46   24   43 1
    47   25   44 1
    48   25   45 1
    49   26   46 1
    50   26   47 1
    51   27   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.8597
  Crash		| -1.6687
  Polar		| 2.9558
  FragIndex	| 1
  FragRMSD	| 0.997