@<TRIPOS>MOLECULE
BindingDB_13056
 45 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.7336    3.2315   13.1823  C     
2    C        -2.9153    4.5629   13.2638  C     
3    S        -5.1723    5.7820   14.1916  S     
4    O        -5.1447    6.7008   15.4920  O     
5    O        -6.4453    6.0365   13.2704  O     
6    N        -3.7157    5.7788   13.3201  N     
7    C        -3.2047    7.0554   12.8673  C     
8    C        -2.8115    8.0489   13.9988  C     
9    C        -1.7484    7.5029   14.9893  C     
10   O        -1.5937    8.2896   16.1907  O     
11   C        -1.3200    9.6959   16.0047  C     
12   N        -2.9117    1.9981   13.0306  N     
13   C        -1.7481    1.9486   12.1170  C     
14   C        -2.1193    1.9423   10.6164  C     
15   C        -4.6464    3.0920   14.3611  C     
16   C        -5.3778    4.1884   14.8178  C     
17   C        -4.8962    1.9326   15.1321  C     
18   C        -5.8121    2.1008   16.1746  C     
19   S        -6.3300    3.7360   16.1715  S     
20   N        -7.6518    1.3884   18.2135  N     
21   S        -6.3030    0.9170   17.3386  S     
22   O        -6.5653   -0.4888   16.6637  O     
23   O        -5.0918    0.7617   18.3527  O     
24   H        -4.3840    3.3016   12.3019  H     
25   H        -2.2620    4.5214   14.1358  H     
26   H        -2.2817    4.6075   12.3760  H     
27   H        -2.3375    6.9139   12.2173  H     
28   H        -3.9716    7.5297   12.2521  H     
29   H        -2.4220    8.9548   13.5255  H     
30   H        -3.7026    8.3304   14.5656  H     
31   H        -2.0729    6.5271   15.3519  H     
32   H        -0.7859    7.3687   14.4852  H     
33   H        -0.4488    9.8506   15.3528  H     
34   H        -1.0956   10.1256   16.9874  H     
35   H        -2.1917   10.2160   15.5925  H     
36   H        -2.5637    1.7494   13.9578  H     
37   H        -3.5440    1.2496   12.7335  H     
38   H        -1.0645    2.7727   12.3253  H     
39   H        -1.2090    1.0257   12.3373  H     
40   H        -2.7649    1.0890   10.3940  H     
41   H        -1.2099    1.8640   10.0195  H     
42   H        -2.6363    2.8617   10.3357  H     
43   H        -4.4394    1.0358   14.9548  H     
44   H        -7.7494    1.0979   19.1344  H     
45   H        -8.3968    1.8068   17.7541  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   16 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 2
    17   15   17 1
    18   16   19 1
    19   17   18 2
    20   18   19 1
    21   18   21 1
    22   20   21 am
    23   21   22 2
    24   21   23 2
    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   17   43 1
    45   20   44 1
    46   20   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0556
  Crash		| -1.9233
  Polar		| 4.2892
  FragIndex	| 1
  FragRMSD	| 1.194