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


@<TRIPOS>ATOM
1    C        42.4290    1.0765   64.9021  C     
2    C        43.5976    1.4893   64.2569  C     
3    N        41.3800    1.4656   64.1541  N     
4    N        41.8015    2.0907   63.1015  N     
5    C        42.2723    0.3354   66.1659  C     
6    C        44.9340    1.2907   64.6950  C     
7    O        45.1854    0.6466   65.8585  O     
8    O        45.9804    1.7922   63.9856  O     
9    C        47.3737    1.6922   64.3039  C     
10   C        48.2002    2.5645   63.3397  C     
11   C        40.9396    2.5534   62.1583  C     
12   C        40.7935    1.8581   60.9433  C     
13   C        39.9029    2.3198   59.9637  C     
14   C        39.1233    3.4941   60.1355  C     
15   C        39.2873    4.1782   61.3728  C     
16   C        40.1638    3.7094   62.3698  C     
17   C        43.1562    2.1477   63.1013  C     
18   C        44.0089    2.8485   62.1107  C     
19   C        38.2120    3.9695   59.0154  C     
20   C        37.3541    5.2381   59.3543  C     
21   C        39.1109    4.3175   57.7813  C     
22   C        37.1875    2.8456   58.6365  C     
23   H        42.7803   -0.6277   66.0914  H     
24   H        41.2180    0.1573   66.3862  H     
25   H        42.7024    0.9081   66.9887  H     
26   H        47.5351    2.0385   65.3275  H     
27   H        47.6974    0.6515   64.2241  H     
28   H        48.0367    2.2445   62.3093  H     
29   H        49.2627    2.4733   63.5756  H     
30   H        47.9056    3.6132   63.4351  H     
31   H        41.3390    1.0084   60.7702  H     
32   H        39.8507    1.7851   59.0928  H     
33   H        38.7694    5.0338   61.5739  H     
34   H        40.2384    4.2165   63.2530  H     
35   H        44.5651    3.6359   62.6213  H     
36   H        43.4164    3.3099   61.3221  H     
37   H        44.7096    2.1515   61.6479  H     
38   H        36.7243    5.0592   60.2297  H     
39   H        36.6956    5.5100   58.5244  H     
40   H        37.9872    6.1024   59.5565  H     
41   H        39.8387    5.0886   58.0456  H     
42   H        38.5187    4.6848   56.9432  H     
43   H        39.6633    3.4475   57.4219  H     
44   H        37.6831    1.9612   58.2345  H     
45   H        36.4848    3.1919   57.8723  H     
46   H        36.6105    2.5423   59.5148  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	| 7.1997
  Crash		| -1.1042
  Polar		| 1.0704
  FragIndex	| 1
  FragRMSD	| 0.620