@<TRIPOS>MOLECULE
BindingDB_11406
 47 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.2171    3.8801   15.2519  C     
2    C        -3.1611    5.0052   14.4898  C     
3    N        -4.3071    5.5153   13.9432  N     
4    S        -5.6871    5.5691   14.9297  S     
5    O        -5.5867    6.6282   16.1100  O     
6    O        -7.0910    5.6562   14.1867  O     
7    C        -4.4025    3.3131   15.7157  C     
8    C        -5.6153    4.0031   15.6410  C     
9    C        -4.5323    2.0442   16.3194  C     
10   C        -5.8378    1.7153   16.7056  C     
11   S        -6.8625    3.0376   16.3123  S     
12   N        -8.0331    0.2643   17.6949  N     
13   S        -6.3744    0.2478   17.4494  S     
14   O        -6.0740   -0.9302   16.4286  O     
15   O        -5.6168   -0.0067   18.8211  O     
16   C        -1.8518    5.6022   14.1507  C     
17   C        -4.4955    5.5771   12.5076  C     
18   C        -4.5100    4.1798   11.8295  C     
19   C        -4.4146    4.2545   10.2905  C     
20   C        -1.9137    9.4464   13.6824  C     
21   C        -2.3827    7.9860   13.4721  C     
22   C        -1.7820    7.4968   15.8148  C     
23   C        -1.3426    8.9754   15.9724  C     
24   N        -1.6445    7.0696   14.3906  N     
25   O        -2.0525    9.8328   15.0606  O     
26   H        -2.3735    3.4312   15.5252  H     
27   H        -3.7430    1.4093   16.4590  H     
28   H        -8.5122   -0.5763   17.7311  H     
29   H        -8.5248    1.0894   17.5622  H     
30   H        -1.0484    5.1050   14.7024  H     
31   H        -1.6337    5.3830   13.1038  H     
32   H        -5.4268    6.0871   12.2499  H     
33   H        -3.7060    6.1770   12.0610  H     
34   H        -3.6651    3.5901   12.1918  H     
35   H        -5.4305    3.6569   12.1029  H     
36   H        -5.3003    4.7381    9.8790  H     
37   H        -4.3398    3.2488    9.8750  H     
38   H        -3.5305    4.8178    9.9870  H     
39   H        -0.8754    9.5602   13.3613  H     
40   H        -2.5296   10.1133   13.0781  H     
41   H        -3.4572    7.9371   13.6577  H     
42   H        -2.1945    7.7137   12.4315  H     
43   H        -1.1538    6.8788   16.4585  H     
44   H        -2.8190    7.3923   16.1474  H     
45   H        -1.5675    9.3138   16.9839  H     
46   H        -0.2650    9.0680   15.8161  H     
47   H        -0.6590    7.2246   14.1665  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    2   16 1
     5    3    4 1
     6    3   17 1
     7    4    5 2
     8    4    6 2
     9    4    8 1
    10    7    8 2
    11    7    9 1
    12    8   11 1
    13    9   10 2
    14   10   11 1
    15   10   13 1
    16   12   13 am
    17   13   14 2
    18   13   15 2
    19   16   24 1
    20   17   18 1
    21   18   19 1
    22   20   21 1
    23   20   25 1
    24   21   24 1
    25   22   23 1
    26   22   24 1
    27   23   25 1
    28    1   26 1
    29    9   27 1
    30   12   28 1
    31   12   29 1
    32   16   30 1
    33   16   31 1
    34   17   32 1
    35   17   33 1
    36   18   34 1
    37   18   35 1
    38   19   36 1
    39   19   37 1
    40   19   38 1
    41   20   39 1
    42   20   40 1
    43   21   41 1
    44   21   42 1
    45   22   43 1
    46   22   44 1
    47   23   45 1
    48   23   46 1
    49   24   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.1756
  Crash		| -2.0818
  Polar		| 2.2712
  FragIndex	| 1
  FragRMSD	| 1.010