@<TRIPOS>MOLECULE
BindingDB_7685
 38 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -7.5278   49.9475   15.1250  C     
2    C        -6.9876   50.6034   16.2524  C     
3    C        -7.2612   51.9705   16.4763  C     
4    C        -8.1062   52.6757   15.5985  C     
5    C        -8.3184   50.6693   14.2003  C     
6    C        -8.9240   50.3556   12.9870  C     
7    C        -8.6338   51.9996   14.4853  C     
8    N        -9.4736   52.4300   13.5484  N     
9    C        -9.6930   51.4523   12.6955  C     
10   O       -10.4626   51.6234   11.7595  O     
11   N        -9.3966   49.1309   11.0454  N     
12   C        -9.5373   48.0718   10.2014  C     
13   C        -9.7266   46.0635    8.1894  C     
14   C       -10.2368   47.3558    7.9642  C     
15   C       -10.1406   48.3472    8.9561  C     
16   C        -9.1268   46.7413   10.4564  C     
17   C        -9.2003   45.7531    9.4570  C     
18   O        -9.0437   45.6262    5.6835  O     
19   S        -9.7479   44.8867    6.9043  S     
20   O        -8.9520   43.5510    7.2421  O     
21   N       -11.3268   44.5572    6.4310  N     
22   Cl       -5.9831   49.7542   17.3154  Cl    
23   C        -8.6724   49.2902   12.1758  C     
24   C        -7.4405   48.5059   12.3306  C     
25   H        -7.3421   48.9525   14.9954  H     
26   H        -6.8509   52.4533   17.2793  H     
27   H        -8.3159   53.6612   15.7550  H     
28   H        -9.8888   53.3098   13.5234  H     
29   H        -9.8645   49.9231   10.7474  H     
30   H       -10.6644   47.5936    7.0688  H     
31   H       -10.4825   49.2886    8.7428  H     
32   H        -8.7654   46.4731   11.3711  H     
33   H        -8.8570   44.8115    9.6605  H     
34   H       -11.5436   44.4887    5.4888  H     
35   H       -12.0439   44.6067    7.0851  H     
36   H        -6.6043   49.1338   12.6435  H     
37   H        -7.1172   48.0520   11.3925  H     
38   H        -7.5923   47.7106   13.0607  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    2    3 2
     4    2   22 1
     5    3    4 1
     6    4    7 2
     7    5    6 1
     8    5    7 1
     9    6    9 1
    10    6   23 2
    11    7    8 1
    12    8    9 1
    13    9   10 2
    14   11   12 1
    15   11   23 1
    16   12   15 2
    17   12   16 1
    18   13   14 2
    19   13   17 1
    20   13   19 1
    21   14   15 1
    22   16   17 2
    23   18   19 2
    24   19   20 2
    25   19   21 am
    26   23   24 1
    27    1   25 1
    28    3   26 1
    29    4   27 1
    30    8   28 1
    31   11   29 1
    32   14   30 1
    33   15   31 1
    34   16   32 1
    35   17   33 1
    36   21   34 1
    37   21   35 1
    38   24   36 1
    39   24   37 1
    40   24   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.3766
  Crash		| -1.0258
  Polar		| 2.3570
  FragIndex	| 1
  FragRMSD	| 0.426