@<TRIPOS>MOLECULE
BindingDB_50292715
 53 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -9.3021   54.5125    7.0052  C     
2    C       -10.0980   53.7745    6.2075  C     
3    N        -9.6720   52.6026    5.6430  N     
4    C        -8.3808   52.2451    5.8426  C     
5    N        -7.5965   52.9690    6.6432  N     
6    C        -8.0351   54.0766    7.2329  C     
7    O        -7.2788   54.6956    7.9657  O     
8    O        -7.8544   51.2798    5.3052  O     
9    C       -10.5711   51.7692    4.8452  C     
10   O       -11.8206   52.3874    4.4704  O     
11   C       -12.9412   51.7881    5.1483  C     
12   C       -12.3513   50.7554    6.1403  C     
13   C       -10.9660   50.4486    5.5505  C     
14   O       -11.0270   49.3840    4.6010  O     
15   O       -13.1333   49.5690    6.2729  O     
16   C       -13.8217   52.9611    5.6994  C     
17   N       -15.0500   52.7539    6.5510  N     
18   C       -14.8324   52.9919    8.0210  C     
19   C       -16.1244   52.8108    8.8686  C     
20   C       -16.8880   51.4902    8.5525  C     
21   C       -17.1620   51.4448    7.0203  C     
22   C       -15.8445   51.5357    6.2100  C     
23   C       -16.2265   50.2497    9.0466  C     
24   O       -15.2670   50.2804   10.0160  O     
25   O       -16.5974   49.0617    8.5166  O     
26   C       -14.5098   49.1881   10.5515  C     
27   C       -15.3133   48.3298   11.5499  C     
28   H        -9.6292   55.3652    7.3982  H     
29   H       -11.0022   54.1302    6.0227  H     
30   H        -6.6841   52.6795    6.8130  H     
31   H       -10.0643   51.5492    3.9009  H     
32   H       -13.5120   51.2505    4.3852  H     
33   H       -12.2274   51.1823    7.1307  H     
34   H       -10.2652   50.1634    6.3399  H     
35   H       -10.9482   48.5612    5.1293  H     
36   H       -13.0038   49.2767    7.1996  H     
37   H       -13.1529   53.6503    6.2141  H     
38   H       -14.1691   53.5090    4.8208  H     
39   H       -15.6696   53.5238    6.2851  H     
40   H       -14.0353   52.3684    8.4214  H     
41   H       -14.5056   54.0282    8.1554  H     
42   H       -15.8746   52.8523    9.9308  H     
43   H       -16.7905   53.6554    8.6643  H     
44   H       -17.8569   51.5383    9.0566  H     
45   H       -17.6933   50.5261    6.7507  H     
46   H       -17.8062   52.2811    6.7424  H     
47   H       -16.0935   51.5517    5.1456  H     
48   H       -15.2759   50.6354    6.4083  H     
49   H       -14.1399   48.5624    9.7378  H     
50   H       -13.6497   49.6100   11.0715  H     
51   H       -15.7597   48.9659   12.3101  H     
52   H       -14.6537   47.6102   12.0380  H     
53   H       -16.1026   47.7826   11.0388  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 1
     5    9    3 1
     6    4    5 1
     7    4    8 2
     8    5    6 1
     9    6    7 2
    10    9   10 1
    11    9   13 1
    12   10   11 1
    13   11   12 1
    14   11   16 1
    15   12   13 1
    16   12   15 1
    17   13   14 1
    18   16   17 1
    19   17   18 1
    20   17   22 1
    21   18   19 1
    22   19   20 1
    23   20   21 1
    24   20   23 1
    25   21   22 1
    26   23   24 1
    27   23   25 2
    28   24   26 1
    29   26   27 1
    30    1   28 1
    31    2   29 1
    32    5   30 1
    33    9   31 1
    34   11   32 1
    35   12   33 1
    36   13   34 1
    37   14   35 1
    38   15   36 1
    39   16   37 1
    40   16   38 1
    41   17   39 1
    42   18   40 1
    43   18   41 1
    44   19   42 1
    45   19   43 1
    46   20   44 1
    47   21   45 1
    48   21   46 1
    49   22   47 1
    50   22   48 1
    51   26   49 1
    52   26   50 1
    53   27   51 1
    54   27   52 1
    55   27   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.2841
  Crash		| -0.9589
  Polar		| 4.5975
  FragIndex	| 1
  FragRMSD	| 0.316