@<TRIPOS>MOLECULE
BindingDB_11408
 41 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.8606    3.9337   14.3617  C     
2    C        -2.7099    5.0716   13.6377  C     
3    N        -3.5511    6.1409   13.7840  N     
4    S        -5.1954    5.8644   14.0986  S     
5    O        -5.8438    6.8825   15.1320  O     
6    O        -6.0860    5.6811   12.7947  O     
7    C        -4.0182    3.6054   15.0621  C     
8    C        -5.1726    4.3895   14.9858  C     
9    C        -4.2153    2.4202   15.8023  C     
10   C        -5.5095    2.2581   16.3127  C     
11   S        -6.4471    3.6171   15.8362  S     
12   N        -7.6688    1.1176   17.8000  N     
13   S        -6.1151    0.9043   17.2047  S     
14   O        -6.0474   -0.4359   16.3550  O     
15   O        -5.1763    0.7068   18.4696  O     
16   C        -1.6938    5.0976   12.5783  C     
17   C        -3.0455    7.4848   13.9690  C     
18   C        -2.5112    7.7235   15.4071  C     
19   C        -1.7944    9.0829   15.5649  C     
20   N        -0.3399    5.3957   13.1131  N     
21   C         0.7217    5.6440   12.1072  C     
22   C         1.0281    4.5464   11.3480  C     
23   C         1.2932    3.5976   10.6734  C     
24   H        -2.1621    3.2273   14.2952  H     
25   H        -3.4838    1.7173   15.9337  H     
26   H        -7.8304    1.0050   18.7495  H     
27   H        -8.3353    1.5573   17.2484  H     
28   H        -1.6766    4.1373   12.0522  H     
29   H        -1.9608    5.8467   11.8272  H     
30   H        -2.2472    7.6945   13.2552  H     
31   H        -3.8290    8.2209   13.7618  H     
32   H        -3.3461    7.6842   16.1123  H     
33   H        -1.8068    6.9300   15.6751  H     
34   H        -0.9106    9.1213   14.9240  H     
35   H        -1.4785    9.2179   16.6007  H     
36   H        -2.4629    9.9025   15.2961  H     
37   H        -0.4143    6.2412   13.6820  H     
38   H        -0.0366    4.6293   13.7229  H     
39   H         0.4293    6.4622   11.4435  H     
40   H         1.6265    5.9499   12.6343  H     
41   H         1.4991    2.8671   10.1504  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    2   16 1
     5    3    4 1
     6    3   17 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   13 1
    16   12   13 am
    17   13   14 2
    18   13   15 2
    19   16   20 1
    20   17   18 1
    21   18   19 1
    22   20   21 1
    23   21   22 1
    24   22   23 3
    25    1   24 1
    26    9   25 1
    27   12   26 1
    28   12   27 1
    29   16   28 1
    30   16   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
    38   20   37 1
    39   20   38 1
    40   21   39 1
    41   21   40 1
    42   23   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.4330
  Crash		| -1.9989
  Polar		| 6.0474
  FragIndex	| 1
  FragRMSD	| 1.015