@<TRIPOS>MOLECULE
BindingDB_14792
 46 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         2.2586   48.2767  -12.0593  C     
2    C         1.1452   48.6771  -11.3300  C     
3    N         3.3242   48.4985  -11.2875  N     
4    N         3.0221   49.0096  -10.1279  N     
5    C         2.3521   47.6748  -13.4029  C     
6    C        -0.2004   48.6124  -11.7942  C     
7    O        -0.4668   48.4608  -13.1122  O     
8    O        -1.2360   48.7798  -10.9316  O     
9    C        -2.6407   48.7779  -11.2194  C     
10   C        -3.3813   49.5982  -10.1497  C     
11   C         4.0742   49.2661   -9.2347  C     
12   C         4.7842   50.5020   -9.2889  C     
13   C         5.8039   50.8385   -8.3766  C     
14   C         6.1966   49.9648   -7.3327  C     
15   C         5.5472   48.7049   -7.3263  C     
16   C         4.5187   48.3780   -8.2286  C     
17   C         1.6559   49.1584  -10.1071  C     
18   C         0.7414   49.7113   -9.0724  C     
19   C         7.3128   50.3047   -6.3480  C     
20   C         7.3013   51.8175   -5.9169  C     
21   C         7.1138   49.4210   -5.0763  C     
22   C         8.7492   50.0330   -6.9189  C     
23   H         1.7777   46.7459  -13.4384  H     
24   H         3.3900   47.4497  -13.6551  H     
25   H         1.9605   48.3650  -14.1533  H     
26   H        -2.8214   49.2210  -12.2005  H     
27   H        -3.0069   47.7495  -11.2149  H     
28   H        -3.2430   49.1500   -9.1670  H     
29   H        -4.4471   49.6246  -10.3722  H     
30   H        -3.0043   50.6204  -10.1293  H     
31   H         4.5622   51.1881  -10.0111  H     
32   H         6.2628   51.7431   -8.4950  H     
33   H         5.8084   47.9963   -6.6409  H     
34   H         4.0906   47.4798   -8.0875  H     
35   H         0.0137   50.3809   -9.5293  H     
36   H         1.2147   50.3040   -8.3161  H     
37   H         0.2070   48.8953   -8.5931  H     
38   H         7.2680   52.4624   -6.7981  H     
39   H         8.1899   52.0872   -5.3384  H     
40   H         6.4435   52.0575   -5.2850  H     
41   H         6.1370   49.6034   -4.6208  H     
42   H         7.8794   49.6350   -4.3232  H     
43   H         7.1761   48.3602   -5.3283  H     
44   H         8.9321   48.9666   -7.0647  H     
45   H         9.5314   50.3946   -6.2365  H     
46   H         8.8797   50.5435   -7.8786  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    5 1
     4    2    6 1
     5    2   17 2
     6    3    4 1
     7    4   11 1
     8    4   17 1
     9    6    7 2
    10    6    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 2
    14   11   16 1
    15   12   13 1
    16   13   14 2
    17   14   15 1
    18   14   19 1
    19   15   16 2
    20   17   18 1
    21   19   20 1
    22   19   21 1
    23   19   22 1
    24    5   23 1
    25    5   24 1
    26    5   25 1
    27    9   26 1
    28    9   27 1
    29   10   28 1
    30   10   29 1
    31   10   30 1
    32   12   31 1
    33   13   32 1
    34   15   33 1
    35   16   34 1
    36   18   35 1
    37   18   36 1
    38   18   37 1
    39   20   38 1
    40   20   39 1
    41   20   40 1
    42   21   41 1
    43   21   42 1
    44   21   43 1
    45   22   44 1
    46   22   45 1
    47   22   46 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.4442
  Crash		| -0.8348
  Polar		| 1.0687
  FragIndex	| 1
  FragRMSD	| 0.231