@<TRIPOS>MOLECULE
BindingDB_50094370
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.0187    4.5106   15.0091  C     
2    S        -5.1438    6.0542   14.2564  S     
3    C        -3.8431    3.7550   15.1162  C     
4    S        -6.3075    3.6648   15.7627  S     
5    C        -5.3603    2.3138   16.2363  C     
6    S        -5.9747    0.9449   17.0996  S     
7    C        -4.0508    2.5325   15.7947  C     
8    C        -3.6126    6.2565   13.3172  C     
9    C        -2.5478    4.1543   14.4881  C     
10   C        -2.4412    5.6843   14.1624  C     
11   O        -6.4294    6.1073   13.3263  O     
12   O        -5.2585    7.1106   15.4394  O     
13   O        -5.7256   -0.3311   16.1890  O     
14   O        -5.2268    0.7351   18.4840  O     
15   N        -7.6352    1.0069   17.3305  N     
16   N        -2.3441    3.2415   13.3278  N     
17   C        -3.4059    7.7423   12.9377  C     
18   C        -1.2179    3.5109   12.4022  C     
19   C        -0.8822    2.2418   11.5941  C     
20   H        -3.3061    1.8474   15.9466  H     
21   H        -3.7018    5.6752   12.3936  H     
22   H        -1.7471    3.9423   15.2084  H     
23   H        -1.5019    5.8788   13.6421  H     
24   H        -2.3892    6.2346   15.1046  H     
25   H        -8.1452    0.1844   17.2888  H     
26   H        -8.0928    1.8557   17.2399  H     
27   H        -2.1857    2.3087   13.7172  H     
28   H        -3.2071    3.2168   12.7751  H     
29   H        -4.2612    8.1141   12.3672  H     
30   H        -2.5120    7.8490   12.3221  H     
31   H        -3.2955    8.3598   13.8303  H     
32   H        -1.5023    4.3119   11.7097  H     
33   H        -0.3254    3.8232   12.9598  H     
34   H        -0.4142    1.4959   12.2493  H     
35   H        -0.1866    2.4927   10.7858  H     
36   H        -1.7872    1.8045   11.1513  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    4 1
     4    2    8 1
     5    2   11 2
     6    2   12 2
     7    3    7 1
     8    3    9 1
     9    4    5 1
    10    5    6 1
    11    5    7 2
    12    6   13 2
    13    6   14 2
    14    6   15 am
    15    8   10 1
    16    8   17 1
    17    9   10 1
    18    9   16 1
    19   16   18 1
    20   18   19 1
    21    7   20 1
    22    8   21 1
    23    9   22 1
    24   10   23 1
    25   10   24 1
    26   15   25 1
    27   15   26 1
    28   16   27 1
    29   16   28 1
    30   17   29 1
    31   17   30 1
    32   17   31 1
    33   18   32 1
    34   18   33 1
    35   19   34 1
    36   19   35 1
    37   19   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8528
  Crash		| -1.0429
  Polar		| 4.5519
  FragIndex	| 1
  FragRMSD	| 0.864