@<TRIPOS>MOLECULE
BindingDB_11390
 49 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.0269    3.9676   14.6841  C     
2    C        -2.8275    5.2006   14.1514  C     
3    N        -3.6871    6.2410   14.4091  N     
4    C        -3.2691    7.5450   14.4539  C     
5    C        -2.9361    8.1435   15.6918  C     
6    C        -2.4272    9.4547   15.7358  C     
7    C        -2.2326   10.1732   14.5425  C     
8    C        -2.5673    9.5923   13.3042  C     
9    C        -3.0938    8.2827   13.2631  C     
10   O        -2.4000   10.3107   12.1666  O     
11   S        -5.3010    5.9972   14.8557  S     
12   O        -5.7323    6.8378   16.1355  O     
13   O        -6.3326    6.0736   13.6493  O     
14   C        -4.1840    3.5609   15.3420  C     
15   C        -5.3067    4.3823   15.4416  C     
16   C        -4.3820    2.2988   15.9443  C     
17   C        -5.6485    2.1148   16.5151  C     
18   S        -6.5580    3.5483   16.2676  S     
19   N        -7.9031    0.7421   17.5197  N     
20   S        -6.2331    0.7248   17.3638  S     
21   O        -5.9179   -0.5358   16.4510  O     
22   O        -5.5434    0.5424   18.7825  O     
23   C        -1.6301    5.4723   13.3280  C     
24   C        -0.7969    2.2676   11.3325  C     
25   C        -1.6788    3.3928   11.9236  C     
26   C         0.2821    4.8917   11.8613  C     
27   C         1.1129    3.7376   11.2523  C     
28   N        -0.8375    4.3582   12.7062  N     
29   O         0.2613    2.8254   10.5300  O     
30   H        -2.3124    3.2829   14.5924  H     
31   H        -3.0549    7.6261   16.5636  H     
32   H        -2.1867    9.8791   16.6349  H     
33   H        -1.8603   11.1236   14.5748  H     
34   H        -3.3386    7.8649   12.3607  H     
35   H        -3.2742   10.7291   11.9909  H     
36   H        -3.6586    1.5730   15.9741  H     
37   H        -8.4003   -0.0642   17.3216  H     
38   H        -8.3668    1.5932   17.5626  H     
39   H        -1.9474    6.1146   12.5002  H     
40   H        -0.9601    6.0646   13.9533  H     
41   H        -0.3795    1.6586   12.1401  H     
42   H        -1.4036    1.6199   10.6942  H     
43   H        -2.1973    3.9074   11.1077  H     
44   H        -2.4357    2.9337   12.5606  H     
45   H         0.9508    5.5042   12.4733  H     
46   H        -0.1056    5.5193   11.0515  H     
47   H         1.8441    4.1469   10.5525  H     
48   H         1.6591    3.2084   12.0383  H     
49   H        -0.3796    3.8399   13.4621  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1   14 1
     3    2    3 1
     4    2   23 1
     5    3    4 1
     6    3   11 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    6    7 2
    11    7    8 1
    12    8    9 2
    13    8   10 1
    14   11   12 2
    15   11   13 2
    16   11   15 1
    17   14   15 2
    18   14   16 1
    19   15   18 1
    20   16   17 2
    21   17   18 1
    22   17   20 1
    23   19   20 am
    24   20   21 2
    25   20   22 2
    26   23   28 1
    27   24   25 1
    28   24   29 1
    29   25   28 1
    30   26   27 1
    31   26   28 1
    32   27   29 1
    33    1   30 1
    34    5   31 1
    35    6   32 1
    36    7   33 1
    37    9   34 1
    38   10   35 1
    39   16   36 1
    40   19   37 1
    41   19   38 1
    42   23   39 1
    43   23   40 1
    44   24   41 1
    45   24   42 1
    46   25   43 1
    47   25   44 1
    48   26   45 1
    49   26   46 1
    50   27   47 1
    51   27   48 1
    52   28   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7837
  Crash		| -2.6719
  Polar		| 4.0108
  FragIndex	| 1
  FragRMSD	| 0.897