@<TRIPOS>MOLECULE
BindingDB_11409
 47 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.0786    3.8714   14.6511  C     
2    C        -3.0719    5.0036   13.8995  C     
3    N        -4.2291    5.5776   13.4190  N     
4    S        -5.6367    5.4521   14.3733  S     
5    O        -5.8129    6.5447   15.5143  O     
6    O        -7.0143    5.2280   13.6118  O     
7    C        -4.2115    3.3026   15.2125  C     
8    C        -5.4482    3.9474   15.1784  C     
9    C        -4.2494    2.0856   15.9242  C     
10   C        -5.5048    1.7636   16.4529  C     
11   S        -6.6043    3.0175   16.0393  S     
12   N        -7.5372    0.3223   17.8161  N     
13   S        -5.9304    0.3487   17.3460  S     
14   O        -5.7910   -0.8792   16.3515  O     
15   O        -4.9817    0.0403   18.5812  O     
16   C        -1.7686    5.6130   13.5766  C     
17   C        -4.3617    5.9352   12.0056  C     
18   C        -4.4352    4.6544   11.1336  C     
19   C        -5.4948    6.9495   11.6740  C     
20   C        -1.7678    9.0480   15.3576  C     
21   C        -1.7981    7.5060   15.2241  C     
22   C        -0.5646    7.7332   13.0865  C     
23   C        -0.5795    9.2680   13.2775  C     
24   N        -1.7291    7.0998   13.7833  N     
25   O        -0.6275    9.6042   14.6770  O     
26   H        -2.2149    3.4282   14.8725  H     
27   H        -3.4300    1.4855   16.0501  H     
28   H        -7.8466    0.9331   18.4983  H     
29   H        -8.1675   -0.2358   17.3396  H     
30   H        -0.9472    5.1676   14.1457  H     
31   H        -1.5557    5.3673   12.5336  H     
32   H        -3.4680    6.4665   11.6739  H     
33   H        -3.4715    4.1384   11.1479  H     
34   H        -4.6751    4.8973   10.0957  H     
35   H        -5.1887    3.9738   11.5223  H     
36   H        -6.4779    6.4809   11.6907  H     
37   H        -5.3460    7.3674   10.6752  H     
38   H        -5.4834    7.7722   12.3930  H     
39   H        -2.6909    9.4772   14.9581  H     
40   H        -1.6983    9.3193   16.4122  H     
41   H        -0.9564    7.0870   15.7828  H     
42   H        -2.7231    7.1411   15.6774  H     
43   H        -0.6065    7.5230   12.0145  H     
44   H         0.3764    7.3364   13.4768  H     
45   H         0.3308    9.6943   12.8530  H     
46   H        -1.4336    9.7058   12.7537  H     
47   H        -2.5638    7.4861   13.3380  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    2   16 1
     5    3    4 1
     6    3   17 1
     7    4    5 2
     8    4    6 2
     9    4    8 1
    10    7    8 2
    11    7    9 1
    12    8   11 1
    13    9   10 2
    14   10   11 1
    15   10   13 1
    16   12   13 am
    17   13   14 2
    18   13   15 2
    19   16   24 1
    20   17   18 1
    21   17   19 1
    22   20   21 1
    23   20   25 1
    24   21   24 1
    25   22   23 1
    26   22   24 1
    27   23   25 1
    28    1   26 1
    29    9   27 1
    30   12   28 1
    31   12   29 1
    32   16   30 1
    33   16   31 1
    34   17   32 1
    35   18   33 1
    36   18   34 1
    37   18   35 1
    38   19   36 1
    39   19   37 1
    40   19   38 1
    41   20   39 1
    42   20   40 1
    43   21   41 1
    44   21   42 1
    45   22   43 1
    46   22   44 1
    47   23   45 1
    48   23   46 1
    49   24   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.4454
  Crash		| -3.8753
  Polar		| 1.7044
  FragIndex	| 1
  FragRMSD	| 0.858