@<TRIPOS>MOLECULE
BindingDB_14772
 38 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -0.0003    1.4109   -9.8949  C     
2    C         1.3215    1.6635   -9.4711  C     
3    C         1.6806    1.6970   -8.1032  C     
4    C         0.6548    1.4673   -7.1535  C     
5    C        -0.6835    1.3075   -7.5594  C     
6    C        -1.0257    1.3121   -8.9256  C     
7    O        -2.3273    1.1267   -9.3086  O     
8    C        -3.0895    2.3457   -9.3860  C     
9    O        -0.3238    1.3216  -11.2292  O     
10   C         0.3668    0.3133  -12.0098  C     
11   C         0.8610    0.9041  -13.3523  C     
12   C         1.6586    2.2197  -13.2077  C     
13   C         3.1222    1.8755   -7.7001  C     
14   C         3.3570    2.7682   -6.4289  C     
15   C         4.4892    3.6764   -8.1753  C     
16   C         3.8076    0.4842   -7.6107  C     
17   O         3.8663    2.6069   -8.6896  O     
18   O         5.2346    4.5495   -8.8936  O     
19   N         4.2371    3.7820   -6.8733  N     
20   H         2.0403    1.7898  -10.1813  H     
21   H         0.8757    1.4137   -6.1536  H     
22   H        -1.4133    1.1850   -6.8519  H     
23   H        -3.1378    2.8555   -8.4210  H     
24   H        -4.1093    2.0928   -9.6807  H     
25   H        -2.6837    3.0311  -10.1346  H     
26   H         1.2076   -0.1433  -11.4812  H     
27   H        -0.3335   -0.4869  -12.2366  H     
28   H         1.4884    0.1678  -13.8644  H     
29   H        -0.0041    1.1029  -13.9905  H     
30   H         1.0336    2.9956  -12.7627  H     
31   H         1.9797    2.5612  -14.1943  H     
32   H         2.5423    2.0654  -12.5864  H     
33   H         2.4412    3.2450   -6.0723  H     
34   H         3.8130    2.2124   -5.6009  H     
35   H         3.3418   -0.1218   -6.8350  H     
36   H         4.8704    0.5939   -7.3772  H     
37   H         3.7178   -0.0425   -8.5651  H     
38   H         4.5425    4.5230   -6.3250  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    9 1
     4    2    3 2
     5    3    4 1
     6    3   13 1
     7    4    5 2
     8    5    6 1
     9    6    7 1
    10    7    8 1
    11    9   10 1
    12   10   11 1
    13   11   12 1
    14   13   14 1
    15   13   16 1
    16   13   17 1
    17   14   19 1
    18   15   17 1
    19   15   18 2
    20   15   19 1
    21    2   20 1
    22    4   21 1
    23    5   22 1
    24    8   23 1
    25    8   24 1
    26    8   25 1
    27   10   26 1
    28   10   27 1
    29   11   28 1
    30   11   29 1
    31   12   30 1
    32   12   31 1
    33   12   32 1
    34   14   33 1
    35   14   34 1
    36   16   35 1
    37   16   36 1
    38   16   37 1
    39   19   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5925
  Crash		| -1.0465
  Polar		| 1.6165
  FragIndex	| 1
  FragRMSD	| 1.290