@<TRIPOS>MOLECULE
BindingDB_7768
 43 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        28.1608   15.6435   15.4686  C     
2    C        27.8454   13.6899   14.0028  C     
3    C        27.0974   13.4305   12.8630  C     
4    C        27.5486   15.0122   14.3737  C     
5    N        26.6496   15.4845   13.5132  N     
6    C        26.3692   14.5542   12.6349  C     
7    O        25.5400   14.7439   11.7569  O     
8    N        26.4309   12.1421   10.9681  N     
9    C        26.3289   11.0363   10.1768  C     
10   C        25.7814    8.7485    8.5430  C     
11   C        26.7650    8.6887    9.5552  C     
12   C        27.0352    9.8116   10.3682  C     
13   C        25.3938   11.0984    9.1221  C     
14   C        25.1072    9.9790    8.3158  C     
15   C        29.0923   14.9303   16.2542  C     
16   C        27.1221   12.3146   12.1016  C     
17   C        29.3849   13.5967   15.9017  C     
18   C        30.3092   11.6240   16.0005  C     
19   C        28.7893   12.9716   14.7941  C     
20   S        29.3627   11.3456   14.6101  S     
21   N        30.2380   12.8084   16.5647  N     
22   C        25.4219    7.5423    7.7539  C     
23   O        26.0147    6.3494    5.3131  O     
24   S        26.6962    7.0915    6.5437  S     
25   O        27.3674    8.3831    5.8967  O     
26   N        27.9099    6.1065    7.1638  N     
27   C        27.9834    4.7132    6.8792  C     
28   H        27.9476   16.6146   15.6834  H     
29   H        26.2354   16.3648   13.5551  H     
30   H        25.8783   12.8912   10.6683  H     
31   H        27.2689    7.8092    9.7306  H     
32   H        27.7393    9.7113   11.1028  H     
33   H        24.8912   11.9772    8.9416  H     
34   H        24.4082   10.0544    7.5716  H     
35   H        29.5485   15.3736   17.0546  H     
36   H        27.6695   11.5498   12.4057  H     
37   H        30.8970   10.9278   16.3772  H     
38   H        25.2568    6.7001    8.4364  H     
39   H        24.4875    7.7101    7.2009  H     
40   H        28.7214    6.5378    7.4611  H     
41   H        27.0177    4.2338    7.0772  H     
42   H        28.7396    4.2553    7.5174  H     
43   H        28.2596    4.5608    5.8312  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1   15 1
     3    2    3 1
     4    2    4 1
     5    2   19 2
     6    3    6 1
     7    3   16 2
     8    4    5 1
     9    5    6 1
    10    6    7 2
    11    8    9 1
    12    8   16 1
    13    9   12 2
    14    9   13 1
    15   10   11 2
    16   10   14 1
    17   10   22 1
    18   11   12 1
    19   13   14 2
    20   15   17 2
    21   17   19 1
    22   17   21 1
    23   18   20 1
    24   18   21 2
    25   19   20 1
    26   22   24 1
    27   23   24 2
    28   24   25 2
    29   24   26 1
    30   26   27 1
    31    1   28 1
    32    5   29 1
    33    8   30 1
    34   11   31 1
    35   12   32 1
    36   13   33 1
    37   14   34 1
    38   15   35 1
    39   16   36 1
    40   18   37 1
    41   22   38 1
    42   22   39 1
    43   26   40 1
    44   27   41 1
    45   27   42 1
    46   27   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.3603
  Crash		| -0.6398
  Polar		| 4.7303
  FragIndex	| 1
  FragRMSD	| 0.144