@<TRIPOS>MOLECULE
BindingDB_14669
 41 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.0731   -4.1233   17.5498  C     
2    C         6.3385   -4.1807   16.9299  C     
3    C         7.3388   -3.2104   17.2085  C     
4    C         7.0361   -2.1612   18.1130  C     
5    C         8.6171   -3.2950   16.5922  C     
6    C         9.3318   -4.5167   16.6077  C     
7    C        10.5532   -4.6444   15.9245  C     
8    C        11.0936   -3.5550   15.2217  C     
9    C        10.4214   -2.3154   15.2397  C     
10   C         9.1899   -2.1886   15.9200  C     
11   C         4.7955   -3.0908   18.4707  C     
12   C         3.6913   -2.7720   19.2426  C     
13   C         5.7685   -2.1251   18.7182  C     
14   C         4.0638   -1.6754   19.9553  C     
15   N         5.2754   -1.2886   19.6266  N     
16   O         3.5602   -1.2486   20.9822  O     
17   C         2.5216   -3.4489   19.2357  C     
18   O        12.2020   -3.6989   14.4487  O     
19   O        10.9148   -1.2877   14.4800  O     
20   C        11.7833   -0.4000   15.2047  C     
21   C         1.3028   -3.1175   19.8206  C     
22   C         0.1269   -3.8392   19.6172  C     
23   C         0.9165   -2.0235   20.6072  C     
24   C        -0.9024   -3.1960   20.2966  C     
25   N        -0.3913   -2.1070   20.8871  N     
26   H         4.3718   -4.8310   17.3327  H     
27   H         6.5263   -4.9428   16.2694  H     
28   H         7.7294   -1.4490   18.3532  H     
29   H         8.9576   -5.3395   17.0945  H     
30   H        11.0335   -5.5424   15.9152  H     
31   H         8.6893   -1.2970   15.8723  H     
32   H         5.7790   -0.5939   20.0768  H     
33   H         2.5179   -4.3089   18.7348  H     
34   H        12.6968   -4.4817   14.7766  H     
35   H        11.2168    0.1859   15.9324  H     
36   H        12.2317    0.2895   14.4901  H     
37   H        12.5969   -0.9322   15.7083  H     
38   H         0.0282   -4.6910   19.0548  H     
39   H         1.4936   -1.2346   20.8875  H     
40   H        -1.8842   -3.4894   20.3318  H     
41   H        -0.8995   -1.4554   21.4019  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1   11 1
     3    2    3 1
     4    3    4 2
     5    3    5 1
     6    4   13 1
     7    5    6 2
     8    5   10 1
     9    6    7 1
    10    7    8 2
    11    8    9 1
    12    8   18 1
    13    9   10 2
    14    9   19 1
    15   11   12 1
    16   11   13 2
    17   12   14 1
    18   12   17 2
    19   13   15 1
    20   14   15 1
    21   14   16 2
    22   17   21 1
    23   19   20 1
    24   21   22 1
    25   21   23 2
    26   22   24 2
    27   23   25 1
    28   24   25 1
    29    1   26 1
    30    2   27 1
    31    4   28 1
    32    6   29 1
    33    7   30 1
    34   10   31 1
    35   15   32 1
    36   17   33 1
    37   18   34 1
    38   20   35 1
    39   20   36 1
    40   20   37 1
    41   22   38 1
    42   23   39 1
    43   24   40 1
    44   25   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.2230
  Crash		| -1.8020
  Polar		| 4.3809
  FragIndex	| 1
  FragRMSD	| 1.262