@<TRIPOS>MOLECULE
BindingDB_14787
 39 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.4986    5.6488   11.9309  C     
2    C        14.6392    5.7664   11.1274  C     
3    C        15.7133    5.6214   12.0117  C     
4    N        15.2191    5.4532   13.2461  N     
5    N        13.9250    5.4670   13.2025  N     
6    C        14.7126    5.9757    9.7264  C     
7    O        15.9108    5.9563    9.0975  O     
8    O        13.5920    6.2032    8.9881  O     
9    C        13.5201    6.3768    7.5670  C     
10   C        12.0715    6.6923    7.1468  C     
11   C        13.1878    5.2441   14.3290  C     
12   C        12.6284    3.9695   14.5360  C     
13   C        11.9032    3.6791   15.7058  C     
14   C        11.7250    4.6681   16.6865  C     
15   C        13.0262    6.2389   15.3245  C     
16   C        12.2852    5.9538   16.5032  C     
17   C        12.1385    6.9636   17.4770  C     
18   C        12.7331    8.2231   17.2753  C     
19   C        13.4631    8.4521   16.0981  C     
20   N        13.5794    7.4693   15.1710  N     
21   C        17.1594    5.6254   11.7325  C     
22   C        12.0927    5.7279   11.4771  C     
23   H        14.1747    7.1938    7.2508  H     
24   H        13.8485    5.4562    7.0783  H     
25   H        11.4017    5.8875    7.4606  H     
26   H        12.0099    6.7955    6.0628  H     
27   H        11.7434    7.6262    7.6098  H     
28   H        12.7608    3.2427   13.8298  H     
29   H        11.5036    2.7503   15.8457  H     
30   H        11.1919    4.4479   17.5324  H     
31   H        11.6073    6.7948   18.3346  H     
32   H        12.6374    8.9587   17.9778  H     
33   H        13.9087    9.3545   15.9371  H     
34   H        17.4012    4.8278   11.0282  H     
35   H        17.7292    5.4599   12.6494  H     
36   H        17.4506    6.5874   11.3084  H     
37   H        11.8916    6.7237   11.0750  H     
38   H        11.3968    5.5472   12.2965  H     
39   H        11.9091    4.9823   10.7021  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1   22 1
     4    2    3 1
     5    2    6 1
     6    3    4 2
     7    3   21 1
     8    4    5 1
     9    5   11 1
    10    6    7 2
    11    6    8 1
    12    8    9 1
    13    9   10 1
    14   11   12 2
    15   11   15 1
    16   12   13 1
    17   13   14 2
    18   14   16 1
    19   15   16 2
    20   15   20 1
    21   16   17 1
    22   17   18 2
    23   18   19 1
    24   19   20 2
    25    9   23 1
    26    9   24 1
    27   10   25 1
    28   10   26 1
    29   10   27 1
    30   12   28 1
    31   13   29 1
    32   14   30 1
    33   17   31 1
    34   18   32 1
    35   19   33 1
    36   21   34 1
    37   21   35 1
    38   21   36 1
    39   22   37 1
    40   22   38 1
    41   22   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.1093
  Crash		| -0.7545
  Polar		| 1.1602
  FragIndex	| 1
  FragRMSD	| 0.337