@<TRIPOS>MOLECULE
BindingDB_11936
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.5798    2.2037   11.6505  C     
2    C        -4.6963    3.4022   10.6542  C     
3    N        -3.9872    4.5936   11.1041  N     
4    S        -4.6339    5.2393   12.5367  S     
5    O        -3.5638    5.9343   13.4724  O     
6    O        -5.9179    6.1457   12.2468  O     
7    C        -5.0043    2.5553   13.0380  C     
8    C        -5.1258    3.8754   13.4759  C     
9    C        -5.2561    1.6289   14.0795  C     
10   C        -5.6611    2.1896   15.2973  C     
11   S        -5.6456    3.8948   15.1071  S     
12   O        -6.5419   -0.0744   16.5247  O     
13   O        -4.6507    1.2481   17.6397  O     
14   S        -5.9880    1.3896   16.7974  S     
15   N        -7.1362    2.1780   17.7378  N     
16   C        -2.8895    5.1720   10.4290  C     
17   C        -2.5144    6.5298   10.6063  C     
18   C        -1.3836    7.0893    9.9583  C     
19   C        -0.6820    6.3162    9.0276  C     
20   C        -1.0139    4.9754    8.8231  C     
21   C        -2.0841    4.4087    9.5451  C     
22   O        -1.0275    8.3816   10.2224  O     
23   C         0.0823    8.4835   11.1369  C     
24   N        -5.4455    1.1004   11.1312  N     
25   C        -4.7473   -0.1433   10.7539  C     
26   H        -3.5212    1.9271   11.7015  H     
27   H        -4.4281    3.0526    9.6651  H     
28   H        -5.7402    3.6819   10.5195  H     
29   H        -5.1593    0.6166   13.9487  H     
30   H        -7.8128    1.6592   18.1986  H     
31   H        -7.1934    3.1473   17.7256  H     
32   H        -3.0568    7.1638   11.1814  H     
33   H         0.1050    6.7211    8.5193  H     
34   H        -0.4685    4.3967    8.1867  H     
35   H        -2.2061    3.4138    9.4050  H     
36   H        -0.1386    8.0079   12.0976  H     
37   H         0.2761    9.5407   11.3177  H     
38   H         0.9917    8.0436   10.7155  H     
39   H        -6.1192    0.8449   11.8542  H     
40   H        -5.9774    1.4312   10.3145  H     
41   H        -4.0362    0.0379    9.9426  H     
42   H        -5.4878   -0.8676   10.4154  H     
43   H        -4.2206   -0.5607   11.6164  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    1   24 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 2
    20   16   21 1
    21   17   18 1
    22   18   19 2
    23   18   22 1
    24   19   20 1
    25   20   21 2
    26   22   23 1
    27   24   25 1
    28    1   26 1
    29    2   27 1
    30    2   28 1
    31    9   29 1
    32   15   30 1
    33   15   31 1
    34   17   32 1
    35   19   33 1
    36   20   34 1
    37   21   35 1
    38   23   36 1
    39   23   37 1
    40   23   38 1
    41   24   39 1
    42   24   40 1
    43   25   41 1
    44   25   42 1
    45   25   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.3066
  Crash		| -1.3591
  Polar		| 5.0780
  FragIndex	| 1
  FragRMSD	| 1.496