@<TRIPOS>MOLECULE
BindingDB_11936
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.1611    3.9194   14.3796  C     
2    C        -3.3222    5.2524   13.5655  C     
3    N        -3.9658    6.3115   14.3041  N     
4    S        -5.5409    6.0075   14.8266  S     
5    O        -5.9617    6.8321   16.1225  O     
6    O        -6.5982    6.1330   13.6475  O     
7    C        -4.3799    3.5190   15.1504  C     
8    C        -5.4823    4.3642   15.3428  C     
9    C        -4.5358    2.2813   15.8138  C     
10   C        -5.7614    2.1078   16.4622  C     
11   S        -6.6694    3.5535   16.2785  S     
12   O        -5.9466   -0.5574   16.4881  O     
13   O        -5.5834    0.6564   18.7766  O     
14   S        -6.2919    0.7281   17.3560  S     
15   N        -7.9601    0.7480   17.5093  N     
16   C        -3.3829    7.5344   14.5060  C     
17   C        -2.9480    8.3139   13.4082  C     
18   C        -2.2963    9.5493   13.6129  C     
19   C        -2.0442    9.9947   14.9263  C     
20   C        -2.4832    9.2340   16.0259  C     
21   C        -3.1482    8.0115   15.8142  C     
22   O        -1.8878   10.2956   12.5412  O     
23   C        -2.8232   11.3209   12.1689  C     
24   N        -2.7418    2.8036   13.4897  N     
25   C        -1.6140    3.0404   12.5668  C     
26   H        -2.3691    4.0721   15.1195  H     
27   H        -2.3291    5.5625   13.2276  H     
28   H        -3.9167    5.0541   12.6679  H     
29   H        -3.8112    1.5582   15.8167  H     
30   H        -8.4489   -0.0896   17.4849  H     
31   H        -8.4386    1.5821   17.3708  H     
32   H        -3.1175    7.9924   12.4522  H     
33   H        -1.5433   10.8711   15.0865  H     
34   H        -2.3059    9.5611   16.9780  H     
35   H        -3.4511    7.4652   16.6238  H     
36   H        -3.7918   10.8996   11.8979  H     
37   H        -2.4246   11.8420   11.2999  H     
38   H        -2.9541   12.0476   12.9705  H     
39   H        -2.4457    2.0310   14.0848  H     
40   H        -3.5473    2.4929   12.9407  H     
41   H        -1.9223    3.6764   11.7332  H     
42   H        -1.2745    2.0786   12.1697  H     
43   H        -0.7797    3.5070   13.0873  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    1   24 1
     4    2    3 1
     5    3    4 1
     6    3   16 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   14 1
    16   12   14 2
    17   13   14 2
    18   14   15 am
    19   16   17 2
    20   16   21 1
    21   17   18 1
    22   18   19 2
    23   18   22 1
    24   19   20 1
    25   20   21 2
    26   22   23 1
    27   24   25 1
    28    1   26 1
    29    2   27 1
    30    2   28 1
    31    9   29 1
    32   15   30 1
    33   15   31 1
    34   17   32 1
    35   19   33 1
    36   20   34 1
    37   21   35 1
    38   23   36 1
    39   23   37 1
    40   23   38 1
    41   24   39 1
    42   24   40 1
    43   25   41 1
    44   25   42 1
    45   25   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0966
  Crash		| -1.7699
  Polar		| 3.5654
  FragIndex	| 1
  FragRMSD	| 0.847