@<TRIPOS>MOLECULE
BindingDB_13424
 53 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.3221    4.9883   15.1535  C     
2    C        -3.5003    6.1988   14.6357  C     
3    C        -3.8260    3.7165   12.9471  C     
4    C        -5.3173    2.6736   14.5517  C     
5    C        -4.0302    1.8194   14.5414  C     
6    C        -3.0812    2.4830   13.5208  C     
7    C        -4.9159    4.0829   14.0089  C     
8    C        -6.1617    4.7869   13.3758  C     
9    C        -2.9341    4.9307   12.5061  C     
10   C        -2.3187    5.7502   13.7010  C     
11   C        -1.1667    5.8236   10.8950  C     
12   C        -1.8166    4.5526   11.4983  C     
13   C        -0.9542    6.9327   11.8660  C     
14   C        -1.4213    6.8658   13.2168  C     
15   C        -0.9420    7.8415   14.1248  C     
16   C        -0.2411    8.9827   13.6735  C     
17   C         0.0331    9.1421   12.2949  C     
18   C        -0.2653    8.0869   11.4119  C     
19   O         0.6183   10.3155   11.9006  O     
20   O         1.0481   12.7614   10.6237  O     
21   S         0.9631   11.0822   10.4232  S     
22   O         2.5290   10.5743   10.0111  O     
23   N        -0.0604   10.6859    9.1402  N     
24   O         0.2990    9.9043   14.5390  O     
25   C        -0.6268   10.5483   15.4371  C     
26   O        -5.9328    2.7045   15.8355  O     
27   H        -3.6755    4.4028   15.8117  H     
28   H        -5.1258    5.3726   15.7861  H     
29   H        -4.1523    6.8910   14.0958  H     
30   H        -3.1166    6.7317   15.5054  H     
31   H        -4.3502    3.3643   12.0515  H     
32   H        -6.0282    2.2028   13.8663  H     
33   H        -3.5573    1.8117   15.5253  H     
34   H        -4.2471    0.7843   14.2586  H     
35   H        -2.8116    1.7859   12.7203  H     
36   H        -2.1619    2.7923   14.0198  H     
37   H        -6.9043    5.0141   14.1382  H     
38   H        -6.6290    4.1506   12.6300  H     
39   H        -5.8773    5.7143   12.8901  H     
40   H        -3.6072    5.6052   11.9588  H     
41   H        -1.6759    5.0853   14.2857  H     
42   H        -0.2008    5.5331   10.4653  H     
43   H        -1.8004    6.1952   10.0822  H     
44   H        -1.0496    3.9662   12.0089  H     
45   H        -2.2149    3.9362   10.6874  H     
46   H        -1.0966    7.7441   15.1356  H     
47   H         0.0685    8.1405   10.4532  H     
48   H        -0.3783   11.3989    8.5500  H     
49   H        -0.4417    9.7878    9.0668  H     
50   H        -1.5183   10.9348   14.9218  H     
51   H        -0.0964   11.3914   15.8732  H     
52   H        -0.9289    9.8731   16.2477  H     
53   H        -6.2256    1.7830   16.0126  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    2   10 1
     4    3    6 1
     5    3    7 1
     6    3    9 1
     7    4    5 1
     8    4    7 1
     9    4   26 1
    10    5    6 1
    11    7    8 1
    12    9   10 1
    13    9   12 1
    14   10   14 1
    15   11   12 1
    16   11   13 1
    17   13   14 2
    18   13   18 1
    19   14   15 1
    20   15   16 2
    21   16   17 1
    22   16   24 1
    23   17   18 2
    24   17   19 1
    25   19   21 1
    26   20   21 2
    27   21   22 2
    28   21   23 am
    29   24   25 1
    30    1   27 1
    31    1   28 1
    32    2   29 1
    33    2   30 1
    34    3   31 1
    35    4   32 1
    36    5   33 1
    37    5   34 1
    38    6   35 1
    39    6   36 1
    40    8   37 1
    41    8   38 1
    42    8   39 1
    43    9   40 1
    44   10   41 1
    45   11   42 1
    46   11   43 1
    47   12   44 1
    48   12   45 1
    49   15   46 1
    50   18   47 1
    51   23   48 1
    52   23   49 1
    53   25   50 1
    54   25   51 1
    55   25   52 1
    56   26   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.8020
  Crash		| -0.8272
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 0.819