@<TRIPOS>MOLECULE
BindingDB_50334363
 45 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.1766    4.3118   15.6975  C     
2    C        17.7617    5.3581   14.9661  C     
3    C        16.9818    6.4208   14.4432  C     
4    C        15.5915    6.4138   14.7346  C     
5    C        15.0084    5.3787   15.4917  C     
6    C        15.7969    4.3150   15.9775  C     
7    S        15.1008    3.0120   16.9016  S     
8    N        13.4847    3.1782   17.3093  N     
9    O        15.1808    1.7192   15.9866  O     
10   O        15.9696    2.7495   18.2081  O     
11   N        17.4504    7.4917   13.7143  N     
12   C        18.6079    7.6562   13.0681  C     
13   N        18.9728    8.7799   12.4660  N     
14   O        19.4646    6.7896   13.0077  O     
15   C        18.2888    9.9370   12.2406  C     
16   C        18.9504   11.1445   12.5444  C     
17   C        18.3727   12.3846   12.2205  C     
18   C        17.1303   12.4508   11.5459  C     
19   C        16.4834   11.2355   11.2162  C     
20   C        17.0436    9.9927   11.5761  C     
21   C        16.5419   13.7703   11.1660  C     
22   C        15.0105   13.7238   10.8882  C     
23   C        14.4135   15.1159   10.5399  C     
24   C        12.8770   15.1756   10.6795  C     
25   H        17.7711    3.5510   16.0362  H     
26   H        18.7706    5.3285   14.8550  H     
27   H        14.9926    7.1668   14.3886  H     
28   H        14.0050    5.4010   15.6756  H     
29   H        13.0506    2.4704   17.8098  H     
30   H        13.0360    4.0291   17.1727  H     
31   H        16.8475    8.2427   13.6605  H     
32   H        19.9030    8.8047   12.1808  H     
33   H        19.8644   11.1266   13.0027  H     
34   H        18.8835   13.2379   12.4561  H     
35   H        15.6046   11.2445   10.6952  H     
36   H        16.5677    9.1313   11.2989  H     
37   H        16.7350   14.5066   11.9522  H     
38   H        17.0477   14.1326   10.2650  H     
39   H        14.8329   13.0316   10.0578  H     
40   H        14.4849   13.3367   11.7641  H     
41   H        14.8548   15.8611   11.2082  H     
42   H        14.6761   15.3859    9.5135  H     
43   H        12.4078   14.5260    9.9384  H     
44   H        12.5308   16.1964   10.5144  H     
45   H        12.5672   14.8600   11.6752  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3   11 1
     6    4    5 1
     7    5    6 2
     8    6    7 1
     9    7    8 am
    10    7    9 2
    11    7   10 2
    12   11   12 am
    13   12   13 am
    14   12   14 2
    15   13   15 1
    16   15   16 2
    17   15   20 1
    18   16   17 1
    19   17   18 2
    20   18   19 1
    21   18   21 1
    22   19   20 2
    23   21   22 1
    24   22   23 1
    25   23   24 1
    26    1   25 1
    27    2   26 1
    28    4   27 1
    29    5   28 1
    30    8   29 1
    31    8   30 1
    32   11   31 1
    33   13   32 1
    34   16   33 1
    35   17   34 1
    36   19   35 1
    37   20   36 1
    38   21   37 1
    39   21   38 1
    40   22   39 1
    41   22   40 1
    42   23   41 1
    43   23   42 1
    44   24   43 1
    45   24   44 1
    46   24   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6156
  Crash		| -1.5035
  Polar		| 2.6479
  FragIndex	| 1
  FragRMSD	| 1.145