@<TRIPOS>MOLECULE
BindingDB_15303
 44 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        61.3065    1.2201   10.1102  C     
2    C        60.7842    0.6301   11.2755  C     
3    C        59.6123   -0.1457   11.2437  C     
4    C        58.9266   -0.4107   10.0339  C     
5    C        59.5248    0.0953    8.8478  C     
6    C        60.6973    0.8829    8.8846  C     
7    N        62.3296    2.1206   10.1336  N     
8    C        57.6999   -1.1121   10.0178  C     
9    C        56.6278   -0.9245   11.0292  C     
10   C        55.2188   -0.9999   10.3462  C     
11   C        55.1742   -2.1132    9.4094  C     
12   N        57.4264   -1.9103    9.0322  N     
13   N        56.2967   -2.4836    8.8058  N     
14   C        56.7279   -1.9747   12.1781  C     
15   O        54.1201   -2.6642    9.1264  O     
16   C        62.5051    3.0592   11.0899  C     
17   C        62.9863    5.4440   12.6706  C     
18   C        64.0120    4.5048   12.2388  C     
19   C        63.7198    3.2840   11.6617  C     
20   C        61.4456    4.0769   11.1945  C     
21   C        61.5496    4.8812   12.5135  C     
22   O        65.1692    4.9062   12.2745  O     
23   C        64.6678    2.2020   11.9235  C     
24   H        61.2916    0.7163   12.1519  H     
25   H        59.2807   -0.5234   12.1317  H     
26   H        59.0823   -0.0605    7.9389  H     
27   H        61.0549    1.2849    8.0151  H     
28   H        62.7157    2.3420    9.2713  H     
29   H        56.7060    0.0710   11.4784  H     
30   H        54.4224   -1.0817   11.0930  H     
31   H        55.0463   -0.0808    9.7781  H     
32   H        56.2625   -3.1972    8.1482  H     
33   H        55.9602   -1.7717   12.9345  H     
34   H        57.6992   -1.9327   12.6740  H     
35   H        56.5788   -2.9917   11.7997  H     
36   H        63.1504    5.7119   13.7180  H     
37   H        63.0726    6.3542   12.0714  H     
38   H        61.5314    4.7682   10.3531  H     
39   H        60.4544    3.6159   11.1556  H     
40   H        61.3211    4.2232   13.3570  H     
41   H        60.8220    5.7002   12.5138  H     
42   H        64.8524    2.1867   13.0100  H     
43   H        65.6108    2.3797   11.3997  H     
44   H        64.2913    1.2170   11.6308  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    8 1
     8    5    6 1
     9    7   16 1
    10    8    9 1
    11    8   12 2
    12    9   10 1
    13    9   14 1
    14   10   11 1
    15   11   13 1
    16   11   15 2
    17   12   13 1
    18   16   19 2
    19   16   20 1
    20   17   18 1
    21   17   21 1
    22   18   19 1
    23   18   22 2
    24   19   23 1
    25   20   21 1
    26    2   24 1
    27    3   25 1
    28    5   26 1
    29    6   27 1
    30    7   28 1
    31    9   29 1
    32   10   30 1
    33   10   31 1
    34   13   32 1
    35   14   33 1
    36   14   34 1
    37   14   35 1
    38   17   36 1
    39   17   37 1
    40   20   38 1
    41   20   39 1
    42   21   40 1
    43   21   41 1
    44   23   42 1
    45   23   43 1
    46   23   44 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.2626
  Crash		| -0.6909
  Polar		| 2.8053
  FragIndex	| 1
  FragRMSD	| 0.535