@<TRIPOS>MOLECULE
BindingDB_25773
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        52.0764   49.4043   34.3378  C     
2    C        52.8485   48.2293   34.2564  C     
3    C        52.5710   47.1299   35.0905  C     
4    C        51.5095   47.2483   36.0019  C     
5    C        50.7728   48.4439   36.0876  C     
6    C        51.0027   49.5682   35.2624  C     
7    C        50.2994   50.8103   35.3435  C     
8    O        50.3040   51.3849   34.2593  O     
9    C        48.7593   52.6165   36.0108  C     
10   C        49.6677   51.2635   37.7802  C     
11   C        50.1577   52.5545   38.4996  C     
12   C        49.1820   53.9157   36.7457  C     
13   N        49.6511   51.4902   36.3341  N     
14   N        49.2863   53.6776   38.1782  N     
15   C        48.5976   54.4244   39.1193  C     
16   C        48.2974   53.9235   40.4181  C     
17   C        48.1345   55.7426   38.8388  C     
18   C        47.4059   56.4992   39.7742  C     
19   C        47.1229   55.9640   41.0368  C     
20   C        47.5714   54.6754   41.3611  C     
21   C        53.3919   45.9002   35.0133  C     
22   H        52.3186   50.1549   33.6889  H     
23   H        53.6079   48.1764   33.5713  H     
24   H        51.2913   46.4783   36.6442  H     
25   H        50.1101   48.4872   36.8287  H     
26   H        47.7420   52.3580   36.3172  H     
27   H        48.6816   52.8636   34.9499  H     
28   H        50.2762   50.4625   38.1601  H     
29   H        48.6550   51.0328   38.1207  H     
30   H        50.2698   52.3682   39.5673  H     
31   H        51.1663   52.7859   38.1422  H     
32   H        50.1488   54.2515   36.3608  H     
33   H        48.4413   54.6683   36.4754  H     
34   H        48.5485   52.9733   40.6883  H     
35   H        48.3631   56.2015   37.9576  H     
36   H        47.0909   57.4417   39.5385  H     
37   H        46.5953   56.5109   41.7190  H     
38   H        47.3533   54.2756   42.2793  H     
39   H        53.3705   45.5024   33.9978  H     
40   H        53.0293   45.1229   35.6891  H     
41   H        54.4209   46.1352   35.2829  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3   21 1
     6    4    5 1
     7    5    6 2
     8    6    7 1
     9    7    8 2
    10    7   13 1
    11    9   12 1
    12    9   13 1
    13   10   11 1
    14   10   13 1
    15   11   14 1
    16   12   14 1
    17   14   15 1
    18   15   16 2
    19   15   17 1
    20   16   20 1
    21   17   18 2
    22   18   19 1
    23   19   20 2
    24    1   22 1
    25    2   23 1
    26    4   24 1
    27    5   25 1
    28    9   26 1
    29    9   27 1
    30   10   28 1
    31   10   29 1
    32   11   30 1
    33   11   31 1
    34   12   32 1
    35   12   33 1
    36   16   34 1
    37   17   35 1
    38   18   36 1
    39   19   37 1
    40   20   38 1
    41   21   39 1
    42   21   40 1
    43   21   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.9279
  Crash		| -1.0692
  Polar		| 1.1500
  FragIndex	| 1
  FragRMSD	| 0.270