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


@<TRIPOS>ATOM
1    C         8.3198  -12.9432    9.4005  C     
2    C         9.3614  -12.7469   10.3252  C     
3    C         9.7894  -11.4456   10.6768  C     
4    C         9.0759  -10.3452   10.1470  C     
5    C         8.0273  -10.5370    9.2281  C     
6    C         7.6552  -11.8373    8.8289  C     
7    N        10.8741  -11.3603   11.4933  N     
8    C        11.7393  -10.3580   11.7233  C     
9    C        12.2732   -9.5804   10.7630  C     
10   C        13.3402   -8.7509   10.9817  C     
11   C        13.1622   -9.2620   13.2726  C     
12   C        12.5347  -10.1601   15.0911  C     
13   N        13.7431   -8.5424   12.2748  N     
14   N        12.2176  -10.1869   12.9780  N     
15   N        11.8349  -10.7416   14.0966  N     
16   N        13.3756   -9.2362   14.5946  N     
17   N         5.3068  -13.3028    8.0561  N     
18   S         6.3934  -12.0869    7.6511  S     
19   O         5.5932  -10.7547    7.3410  O     
20   O         7.0958  -12.5419    6.2984  O     
21   C        14.0815   -8.5473    8.5495  C     
22   C        13.2164   -9.4181    6.2565  C     
23   C        13.5875   -8.0659    5.5842  C     
24   C        14.7780   -7.4005    6.3070  C     
25   C        14.4979   -7.2246    7.8164  C     
26   C        12.8974   -9.2558    7.7570  C     
27   N        13.9858   -8.1469    9.9496  N     
28   H         8.0695  -13.9049    9.1358  H     
29   H         9.8455  -13.5637   10.7006  H     
30   H         9.2989   -9.3950   10.4429  H     
31   H         7.5397   -9.7228    8.8462  H     
32   H        11.1120  -12.2023   11.9272  H     
33   H        11.9212   -9.5934    9.8766  H     
34   H        12.4376  -10.3893   16.0791  H     
35   H         5.2631  -14.1086    7.5164  H     
36   H         4.9780  -13.3258    8.9653  H     
37   H        14.9357   -9.2259    8.4989  H     
38   H        12.3465   -9.8383    5.7329  H     
39   H        14.0466  -10.1166    6.1347  H     
40   H        13.8582   -8.2338    4.5359  H     
41   H        12.7196   -7.3959    5.6033  H     
42   H        15.6792   -8.0085    6.1691  H     
43   H        14.9632   -6.4154    5.8653  H     
44   H        13.7035   -6.4866    7.9472  H     
45   H        15.4068   -6.8218    8.2723  H     
46   H        12.6074  -10.2770    8.0996  H     
47   H        12.0122   -8.6271    7.8497  H     
48   H        14.6462   -7.4905   10.2294  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	| 7.6723
  Crash		| -2.2844
  Polar		| 3.1110
  FragIndex	| 1
  FragRMSD	| 0.665