@<TRIPOS>MOLECULE
BindingDB_11934
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.9126    3.6750   13.7225  C     
2    C        -3.0541    4.8728   12.7204  C     
3    N        -3.6957    6.0472   13.2786  N     
4    S        -5.2926    5.8228   13.7936  S     
5    O        -6.3322    5.7223   12.5972  O     
6    O        -5.7439    6.8517   14.9144  O     
7    C        -4.1191    3.4471   14.5869  C     
8    C        -5.2216    4.3153   14.6229  C     
9    C        -4.2952    2.3486   15.4592  C     
10   C        -5.5257    2.3089   16.1264  C     
11   S        -6.4248    3.7002   15.6764  S     
12   O        -6.1534   -0.2796   16.3655  O     
13   O        -5.0865    0.9127   18.4114  O     
14   S        -6.1041    1.0735   17.2015  S     
15   N        -7.6600    1.3654   17.7629  N     
16   C        -3.0170    7.3022   13.4878  C     
17   C        -1.7413    7.1587   14.3585  C     
18   O        -1.3691    8.4145   14.9710  O     
19   C        -1.7865    8.5863   16.3339  C     
20   N        -2.6240    2.4127   12.9917  N     
21   C        -1.5408    2.4119   11.9818  C     
22   C        -1.5384    1.0615   11.2270  C     
23   H        -2.0726    3.8817   14.3916  H     
24   H        -2.0720    5.1238   12.3233  H     
25   H        -3.6609    4.5521   11.8704  H     
26   H        -3.5958    1.6141   15.5780  H     
27   H        -8.1188    0.6801   18.2812  H     
28   H        -8.1018    2.2031   17.5607  H     
29   H        -2.7382    7.7266   12.5203  H     
30   H        -3.6778    8.0267   13.9670  H     
31   H        -1.8672    6.3689   15.1084  H     
32   H        -0.9097    6.8618   13.7157  H     
33   H        -2.8486    8.3814   16.4660  H     
34   H        -1.5941    9.6193   16.6308  H     
35   H        -1.2070    7.9300   16.9803  H     
36   H        -2.3465    1.7232   13.6927  H     
37   H        -3.4856    2.0956   12.5425  H     
38   H        -1.6955    3.2222   11.2636  H     
39   H        -0.5707    2.5485   12.4758  H     
40   H        -1.3678    0.2343   11.9209  H     
41   H        -0.7546    1.0530   10.4654  H     
42   H        -2.5005    0.9112   10.7306  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    1   20 1
     4    2    3 1
     5    3    4 1
     6    3   16 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   14 1
    16   12   14 2
    17   13   14 2
    18   14   15 am
    19   16   17 1
    20   17   18 1
    21   18   19 1
    22   20   21 1
    23   21   22 1
    24    1   23 1
    25    2   24 1
    26    2   25 1
    27    9   26 1
    28   15   27 1
    29   15   28 1
    30   16   29 1
    31   16   30 1
    32   17   31 1
    33   17   32 1
    34   19   33 1
    35   19   34 1
    36   19   35 1
    37   20   36 1
    38   20   37 1
    39   21   38 1
    40   21   39 1
    41   22   40 1
    42   22   41 1
    43   22   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0426
  Crash		| -2.2526
  Polar		| 4.3807
  FragIndex	| 1
  FragRMSD	| 1.100