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


@<TRIPOS>ATOM
1    C        -3.7127    3.6902   13.6172  C     
2    C        -3.0566    5.0899   13.8820  C     
3    S        -5.4615    5.9582   14.7809  S     
4    O        -5.5483    6.7868   16.1392  O     
5    O        -6.7084    6.1699   13.8137  O     
6    N        -4.0094    6.1790   13.9337  N     
7    C        -3.7064    7.4726   13.3606  C     
8    C        -2.6798    8.3274   14.1596  C     
9    C        -2.9947    8.4837   15.6704  C     
10   O        -2.3054    9.6107   16.2570  O     
11   C        -0.8738    9.5209   16.3017  C     
12   N        -2.6328    2.6992   13.3506  N     
13   C        -2.9318    1.5266   12.4753  C     
14   C        -1.6637    1.1698   11.6590  C     
15   C        -4.6485    3.3187   14.7199  C     
16   C        -5.5300    4.2857   15.2196  C     
17   C        -4.8099    2.0710   15.3604  C     
18   C        -5.8212    2.0335   16.3261  C     
19   S        -6.5309    3.5892   16.4281  S     
20   N        -7.9886    0.6693   17.4770  N     
21   S        -6.3136    0.6940   17.3115  S     
22   O        -5.9449   -0.6475   16.5431  O     
23   O        -5.6314    0.7175   18.7460  O     
24   H        -4.3208    3.8139   12.7123  H     
25   H        -2.4983    5.0583   14.8315  H     
26   H        -2.3336    5.2776   13.0806  H     
27   H        -3.3024    7.3001   12.3525  H     
28   H        -4.6196    8.0498   13.2284  H     
29   H        -1.6871    7.8883   14.0357  H     
30   H        -2.6606    9.3224   13.6974  H     
31   H        -4.0628    8.6853   15.7930  H     
32   H        -2.7667    7.5541   16.2004  H     
33   H        -0.5527    8.6179   16.8233  H     
34   H        -0.5037   10.3928   16.8448  H     
35   H        -0.4371    9.5342   15.2940  H     
36   H        -1.8570    3.2090   12.8957  H     
37   H        -2.2691    2.3415   14.2425  H     
38   H        -3.2207    0.6684   13.1008  H     
39   H        -3.7363    1.7412   11.7637  H     
40   H        -1.3911    2.0227   11.0221  H     
41   H        -1.8601    0.2991   11.0207  H     
42   H        -0.8282    0.9419   12.3306  H     
43   H        -4.2468    1.2477   15.1376  H     
44   H        -8.4612   -0.1762   17.4666  H     
45   H        -8.4870    1.5024   17.3745  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	| 5.9913
  Crash		| -2.5513
  Polar		| 2.7436
  FragIndex	| 1
  FragRMSD	| 1.121