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


@<TRIPOS>ATOM
1    C        44.7459    1.3213  -10.2907  C     
2    C        46.0648    1.2983   -9.7733  C     
3    C        46.3881    1.8143   -8.4907  C     
4    C        45.3519    2.5122   -7.8109  C     
5    C        44.0316    2.5276   -8.2968  C     
6    C        43.7092    1.8928   -9.5173  C     
7    O        42.4396    1.8026  -10.0547  O     
8    C        41.3391    2.5445   -9.4838  C     
9    O        44.3614    0.8089  -11.5155  O     
10   C        45.1523   -0.1290  -12.2792  C     
11   C        45.9146    0.5244  -13.4584  C     
12   C        45.0769    1.5793  -14.2221  C     
13   C        47.7944    1.7020   -7.9357  C     
14   C        48.1164    2.5195   -6.6287  C     
15   C        49.1130    3.5244   -8.4001  C     
16   C        48.2648    0.2225   -7.7470  C     
17   O        48.6185    2.3695   -8.8948  O     
18   O        49.8627    4.4056   -9.0990  O     
19   N        48.7541    3.6825   -7.1215  N     
20   H        46.7887    0.8554  -10.3333  H     
21   H        45.5237    3.0367   -6.9544  H     
22   H        43.3034    2.9891   -7.7448  H     
23   H        41.2435    2.3393   -8.4049  H     
24   H        40.4125    2.2431   -9.9755  H     
25   H        41.4819    3.6224   -9.6358  H     
26   H        45.8591   -0.6438  -11.6270  H     
27   H        44.4710   -0.8879  -12.6670  H     
28   H        46.8165    1.0007  -13.0608  H     
29   H        46.2230   -0.2598  -14.1599  H     
30   H        44.2337    1.1044  -14.7388  H     
31   H        45.7126    2.0807  -14.9672  H     
32   H        44.6819    2.3354  -13.5289  H     
33   H        47.2465    2.7386   -6.0123  H     
34   H        48.8428    2.0244   -5.9766  H     
35   H        47.5646   -0.3259   -7.1099  H     
36   H        49.2526    0.1656   -7.2947  H     
37   H        48.3352   -0.3043   -8.7024  H     
38   H        49.0270    4.4383   -6.5682  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	| 8.0836
  Crash		| -0.8263
  Polar		| 2.4061
  FragIndex	| 1
  FragRMSD	| 0.695