@<TRIPOS>MOLECULE
BindingDB_91781
 49 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        -9.6021   44.8220    7.3520  S     
2    O       -10.8333   44.8014    8.3699  O     
3    O        -9.1814   45.8856    6.2458  O     
4    N       -10.9221   44.7495    6.3162  N     
5    C       -12.1133   43.9541    6.5164  C     
6    C       -11.9322   42.4052    6.4602  C     
7    N       -12.4980   41.8321    5.1883  N     
8    C       -11.6294   40.8280    4.5054  C     
9    C       -13.9575   41.5017    5.1992  C     
10   C        -9.5440   46.3050    8.3072  C     
11   C        -8.7001   46.2677    9.4443  C     
12   C        -8.7280   47.2867   10.4044  C     
13   C        -9.5577   48.4304   10.2166  C     
14   N        -9.7180   49.4437   11.1003  N     
15   C        -9.2130   49.5553   12.3249  C     
16   C        -9.3041   50.6690   13.0716  C     
17   C        -8.6988   50.8340   14.2963  C     
18   C        -8.8406   52.1791   14.6373  C     
19   N        -9.5638   52.7589   13.6684  N     
20   C        -9.8666   51.8622   12.7510  C     
21   O       -10.5715   52.1249   11.7837  O     
22   C        -8.2429   52.6982   15.7995  C     
23   C        -7.5067   51.8320   16.6352  C     
24   C        -7.3991   50.4596   16.3167  C     
25   C        -7.9978   49.9479   15.1470  C     
26   C       -10.3045   48.5320    9.0182  C     
27   C       -10.3160   47.4856    8.0825  C     
28   H       -10.9218   45.3341    5.5236  H     
29   H       -12.8211   44.2757    5.7573  H     
30   H       -12.5369   44.2147    7.4869  H     
31   H       -12.4192   41.9462    7.3311  H     
32   H       -10.8619   42.1861    6.5332  H     
33   H       -12.0234   40.5854    3.5203  H     
34   H       -11.5669   39.9175    5.1011  H     
35   H       -10.6249   41.2383    4.3727  H     
36   H       -14.5333   42.2792    5.7100  H     
37   H       -14.3180   41.4415    4.1748  H     
38   H       -14.1322   40.5525    5.7042  H     
39   H        -8.1251   45.4359    9.6204  H     
40   H        -8.1584   47.1672   11.2433  H     
41   H       -10.3003   50.1616   10.8016  H     
42   H        -8.7459   48.7743   12.7118  H     
43   H        -9.8658   53.6870   13.6599  H     
44   H        -8.2960   53.6938   16.0051  H     
45   H        -7.0530   52.1924   17.4733  H     
46   H        -6.8610   49.8361   16.9242  H     
47   H        -7.8940   48.9607   14.9081  H     
48   H       -10.9108   49.3461    8.8747  H     
49   H       -10.9268   47.5526    7.2696  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 2
     3    1    4 1
     4    4    5 1
     5    5    6 1
     6    6    7 1
     7    7    8 1
     8    7    9 1
     9    1   10 1
    10   10   11 ar
    11   11   12 ar
    12   12   13 ar
    13   13   14 1
    14   14   15 1
    15   15   16 2
    16   16   17 1
    17   17   18 ar
    18   18   19 1
    19   19   20 1
    20   16   20 1
    21   20   21 2
    22   18   22 ar
    23   22   23 ar
    24   23   24 ar
    25   24   25 ar
    26   17   25 ar
    27   13   26 ar
    28   26   27 ar
    29   10   27 ar
    30    4   28 1
    31    5   29 1
    32    5   30 1
    33    6   31 1
    34    6   32 1
    35    8   33 1
    36    8   34 1
    37    8   35 1
    38    9   36 1
    39    9   37 1
    40    9   38 1
    41   11   39 1
    42   12   40 1
    43   14   41 1
    44   15   42 1
    45   19   43 1
    46   22   44 1
    47   23   45 1
    48   24   46 1
    49   25   47 1
    50   26   48 1
    51   27   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.3938
  Crash		| -1.6401
  Polar		| 4.5415
  FragIndex	| 1
  FragRMSD	| 0.875