@<TRIPOS>MOLECULE
BindingDB_50345215
 36 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.8529    3.1248   14.9643  C     
2    C        -3.6878    3.9322   14.1238  C     
3    C        -3.0492    3.0669   15.0374  C     
4    C        -3.7947    2.2220   15.8847  C     
5    C        -5.2024    2.2523   15.8531  C     
6    S        -6.1224    1.2452   16.9406  S     
7    N        -7.5998    1.9140   17.3767  N     
8    O        -6.4682   -0.0948   16.1609  O     
9    O        -5.2924    0.8500   18.2361  O     
10   N        -2.8619    4.7010   13.3384  N     
11   C        -3.1075    5.4374   12.2659  C     
12   O        -4.2204    5.4854   11.7432  O     
13   C        -2.0158    6.1162   11.5856  C     
14   C        -1.6660    7.5566   12.0811  C     
15   C        -5.1036    3.9584   14.1071  C     
16   C        -2.8817    8.5200   11.9833  C     
17   C        -0.9385    7.6520   13.4650  C     
18   C        -1.8102    7.6556   14.7454  C     
19   H        -6.8727    3.1700   14.9326  H     
20   H        -2.0283    3.0363   15.0930  H     
21   H        -3.2997    1.5966   16.5224  H     
22   H        -8.4002    1.3678   17.3318  H     
23   H        -7.6846    2.8781   17.4526  H     
24   H        -1.9290    4.6907   13.6099  H     
25   H        -1.1213    5.4909   11.6542  H     
26   H        -2.2496    6.1861   10.5172  H     
27   H        -0.9403    7.9382   11.3535  H     
28   H        -5.6174    4.5885   13.4958  H     
29   H        -3.3051    8.5051   10.9721  H     
30   H        -2.5779    9.5497   12.1984  H     
31   H        -3.6642    8.2285   12.6905  H     
32   H        -0.2314    6.8229   13.5348  H     
33   H        -0.3500    8.5728   13.4844  H     
34   H        -2.3875    8.5776   14.8192  H     
35   H        -1.1666    7.5912   15.6289  H     
36   H        -2.4967    6.8119   14.7657  H     
@<TRIPOS>BOND
     1    1    5 1
     2    1   15 2
     3    2    3 2
     4    2   10 1
     5    2   15 1
     6    3    4 1
     7    4    5 2
     8    5    6 1
     9    6    7 am
    10    6    8 2
    11    6    9 2
    12   10   11 am
    13   11   12 2
    14   11   13 1
    15   13   14 1
    16   14   16 1
    17   14   17 1
    18   17   18 1
    19    1   19 1
    20    3   20 1
    21    4   21 1
    22    7   22 1
    23    7   23 1
    24   10   24 1
    25   13   25 1
    26   13   26 1
    27   14   27 1
    28   15   28 1
    29   16   29 1
    30   16   30 1
    31   16   31 1
    32   17   32 1
    33   17   33 1
    34   18   34 1
    35   18   35 1
    36   18   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.2629
  Crash		| -1.3542
  Polar		| 2.5380
  FragIndex	| 1
  FragRMSD	| 1.184