@<TRIPOS>MOLECULE
BindingDB_10885
 45 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.1307    4.0097   14.4548  C     
2    C        -3.2733    5.3865   13.7180  C     
3    S        -5.5763    6.0200   14.8998  S     
4    O        -6.0816    6.7594   16.2194  O     
5    O        -6.6004    6.1241   13.6936  O     
6    N        -3.9803    6.3839   14.4882  N     
7    C        -3.4530    7.7261   14.6993  C     
8    C        -1.9893    7.7388   15.2006  C     
9    C        -1.5494    8.9637   16.0618  C     
10   O        -1.0736   10.1222   15.3423  O     
11   C        -2.0407   10.8698   14.5862  C     
12   N        -2.7069    2.9522   13.4919  N     
13   C        -1.5941    3.2323   12.5627  C     
14   C        -1.3224    1.9965   11.6694  C     
15   C        -4.3512    3.5565   15.1847  C     
16   C        -4.4920    2.3007   15.8110  C     
17   C        -5.4763    4.3683   15.3704  C     
18   S        -6.6536    3.5158   16.2762  S     
19   C        -5.7091    2.0931   16.4533  C     
20   S        -6.2209    0.6906   17.3084  S     
21   O        -5.9140   -0.5752   16.3942  O     
22   O        -5.4676    0.6027   18.7129  O     
23   N        -7.8844    0.7064   17.5144  N     
24   H        -2.3322    4.1158   15.1992  H     
25   H        -2.2816    5.7568   13.4416  H     
26   H        -3.8315    5.2476   12.7840  H     
27   H        -3.5299    8.2851   13.7511  H     
28   H        -4.0725    8.2603   15.4347  H     
29   H        -1.8216    6.8528   15.8225  H     
30   H        -1.3061    7.6472   14.3494  H     
31   H        -2.3445    9.2622   16.7447  H     
32   H        -0.7020    8.6445   16.6611  H     
33   H        -2.3188   10.2961   13.6867  H     
34   H        -1.5748   11.8273   14.2891  H     
35   H        -2.9405   11.0993   15.1752  H     
36   H        -2.4121    2.1480   14.0409  H     
37   H        -3.5216    2.6905   12.9346  H     
38   H        -1.8415    4.0724   11.9068  H     
39   H        -0.6793    3.4736   13.1167  H     
40   H        -0.9826    1.1565   12.2831  H     
41   H        -0.5540    2.2263   10.9277  H     
42   H        -2.2384    1.7053   11.1451  H     
43   H        -3.7627    1.5959   15.8024  H     
44   H        -8.3390   -0.0485   17.9357  H     
45   H        -8.4184    1.4269   17.1195  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   12 1
     3    1   15 1
     4    2    6 1
     5    3    4 2
     6    3    5 2
     7    3    6 1
     8    3   17 1
     9    6    7 1
    10    7    8 1
    11    8    9 1
    12    9   10 1
    13   10   11 1
    14   12   13 1
    15   13   14 1
    16   15   16 1
    17   15   17 2
    18   16   19 2
    19   17   18 1
    20   18   19 1
    21   19   20 1
    22   20   21 2
    23   20   22 2
    24   20   23 am
    25    1   24 1
    26    2   25 1
    27    2   26 1
    28    7   27 1
    29    7   28 1
    30    8   29 1
    31    8   30 1
    32    9   31 1
    33    9   32 1
    34   11   33 1
    35   11   34 1
    36   11   35 1
    37   12   36 1
    38   12   37 1
    39   13   38 1
    40   13   39 1
    41   14   40 1
    42   14   41 1
    43   14   42 1
    44   16   43 1
    45   23   44 1
    46   23   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.5028
  Crash		| -2.0802
  Polar		| 3.6318
  FragIndex	| 1
  FragRMSD	| 1.003