@<TRIPOS>MOLECULE
BindingDB_50292720
 42 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        35.4067   13.3655    9.9437  C     
2    C        34.3493   13.2945    9.1129  C     
3    N        33.0740   13.5133    9.5561  N     
4    C        32.8969   13.8755   10.8438  C     
5    N        33.9444   13.9387   11.6646  N     
6    C        35.1767   13.6759   11.2473  C     
7    O        36.0832   13.6837   12.0658  O     
8    O        31.8036   14.1238   11.3336  O     
9    C        31.9542   13.2529    8.6685  C     
10   O        32.1271   11.9511    8.0797  O     
11   C        31.5089   11.9811    6.7964  C     
12   C        31.8615   13.3782    6.2471  C     
13   C        31.7896   14.2707    7.5053  C     
14   O        30.5338   14.9540    7.6020  O     
15   O        31.0095   13.7956    5.1805  O     
16   C        32.0134   10.7734    5.9550  C     
17   N        31.2562   10.4651    4.6936  N     
18   C        29.7719   10.5911    4.8373  C     
19   C        29.0287   10.1392    3.5585  C     
20   O        29.4159    8.8078    3.1743  O     
21   C        30.8320    8.6988    2.9089  C     
22   C        31.6596    9.1176    4.1499  C     
23   H        36.3251   13.1660    9.6174  H     
24   H        34.5215   13.0614    8.1621  H     
25   H        33.8080   14.1558   12.6010  H     
26   H        31.0048   13.1997    9.2201  H     
27   H        30.4284   11.8907    6.9591  H     
28   H        32.8907   13.3753    5.8709  H     
29   H        32.5902   15.0196    7.4890  H     
30   H        30.6896   15.7119    8.2052  H     
31   H        30.1020   13.8046    5.5567  H     
32   H        33.0616   10.9662    5.6881  H     
33   H        32.0136    9.8813    6.6031  H     
34   H        31.5407   11.1623    3.9990  H     
35   H        29.4244   10.0077    5.6974  H     
36   H        29.4901   11.6358    4.9986  H     
37   H        27.9546   10.1432    3.7542  H     
38   H        29.2302   10.8424    2.7422  H     
39   H        31.0574    7.6516    2.6699  H     
40   H        31.1060    9.3073    2.0370  H     
41   H        32.7175    9.1266    3.8704  H     
42   H        31.5294    8.3452    4.9155  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   21   22 1
    25    1   23 1
    26    2   24 1
    27    5   25 1
    28    9   26 1
    29   11   27 1
    30   12   28 1
    31   13   29 1
    32   14   30 1
    33   15   31 1
    34   16   32 1
    35   16   33 1
    36   17   34 1
    37   18   35 1
    38   18   36 1
    39   19   37 1
    40   19   38 1
    41   21   39 1
    42   21   40 1
    43   22   41 1
    44   22   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5304
  Crash		| -2.5095
  Polar		| 4.4689
  FragIndex	| 1
  FragRMSD	| 0.314