@<TRIPOS>MOLECULE
BindingDB_12115
 52 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.3964   -2.4216    9.2690  C     
2    C        18.7692   -1.1820    9.0989  C     
3    N        19.7151   -0.3183    8.6648  N     
4    C        20.8919   -0.9491    8.5163  C     
5    C        20.7188   -2.2782    8.8827  C     
6    C        22.1358   -0.4949    8.0511  C     
7    C        23.1885   -1.4263    7.9137  C     
8    C        21.7604   -3.2122    8.7705  C     
9    C        17.4218   -0.8670    9.2296  C     
10   C        16.3815   -1.6141    9.7369  C     
11   C        13.9518   -1.2980    9.8185  C     
12   C        15.2418   -0.8640    9.4726  C     
13   C        16.2503   -2.8394   10.4235  C     
14   C        14.9659   -3.2977   10.7859  C     
15   C        13.8194   -2.5358   10.4768  C     
16   N        16.9199    0.2215    8.7547  N     
17   N        15.6595    0.2546    8.8809  N     
18   C        23.0085   -2.8010    8.2331  C     
19   C        24.1293   -3.7575    7.9872  C     
20   C        25.4128   -6.3252    6.4134  C     
21   C        23.1237   -5.9146    5.6838  C     
22   C        22.6868   -5.6709    7.1528  C     
23   C        24.9927   -6.1238    7.8931  C     
24   N        23.8051   -5.2258    8.0519  N     
25   N        24.2780   -6.7955    5.6337  N     
26   C        24.3075   -7.9545    4.9432  C     
27   C        23.2067   -8.4808    4.1490  C     
28   O        25.3153   -8.6531    4.9474  O     
29   H        18.9747   -3.3075    9.5376  H     
30   H        19.5624    0.6150    8.4558  H     
31   H        22.2640    0.4840    7.7880  H     
32   H        24.0854   -1.0979    7.5469  H     
33   H        21.5833   -4.1829    9.0364  H     
34   H        13.1321   -0.7274    9.6007  H     
35   H        17.0629   -3.3935   10.6841  H     
36   H        14.8674   -4.1857   11.2823  H     
37   H        12.8926   -2.8775   10.7404  H     
38   H        15.0770    0.9754    8.5862  H     
39   H        24.5659   -3.5418    7.0084  H     
40   H        24.8884   -3.5192    8.7369  H     
41   H        25.7643   -5.3753    6.0023  H     
42   H        26.2703   -7.0030    6.4012  H     
43   H        22.2522   -6.2901    5.1475  H     
44   H        23.3842   -4.9599    5.2196  H     
45   H        21.8634   -4.9520    7.1543  H     
46   H        22.2836   -6.6064    7.5516  H     
47   H        24.7391   -7.1014    8.3132  H     
48   H        25.8456   -5.7520    8.4672  H     
49   H        23.4826   -5.3890    9.0075  H     
50   H        22.3394   -8.6560    4.7878  H     
51   H        23.4590   -9.4286    3.6648  H     
52   H        22.9418   -7.7686    3.3656  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    2    9 1
     5    3    4 1
     6    4    5 2
     7    4    6 1
     8    5    8 1
     9    6    7 2
    10    7   18 1
    11    8   18 2
    12    9   10 1
    13    9   16 2
    14   10   12 1
    15   10   13 2
    16   11   12 2
    17   11   15 1
    18   12   17 1
    19   13   14 1
    20   14   15 2
    21   16   17 1
    22   18   19 1
    23   19   24 1
    24   20   23 1
    25   20   25 1
    26   21   22 1
    27   21   25 1
    28   22   24 1
    29   23   24 1
    30   25   26 am
    31   26   27 1
    32   26   28 2
    33    1   29 1
    34    3   30 1
    35    6   31 1
    36    7   32 1
    37    8   33 1
    38   11   34 1
    39   13   35 1
    40   14   36 1
    41   15   37 1
    42   17   38 1
    43   19   39 1
    44   19   40 1
    45   20   41 1
    46   20   42 1
    47   21   43 1
    48   21   44 1
    49   22   45 1
    50   22   46 1
    51   23   47 1
    52   23   48 1
    53   24   49 1
    54   27   50 1
    55   27   51 1
    56   27   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.0606
  Crash		| -0.7215
  Polar		| 1.6124
  FragIndex	| 1
  FragRMSD	| 0.631