@<TRIPOS>MOLECULE
BindingDB_11455
 59 63 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.4768   -9.6763    8.7482  C     
2    C         9.5098   -9.6880    9.7014  C     
3    C         9.8046  -10.8690   10.4301  C     
4    C         8.9715  -12.0016   10.2335  C     
5    C         7.9559  -11.9983    9.2656  C     
6    C         7.6937  -10.8417    8.5055  C     
7    N        10.7825  -10.9559   11.3651  N     
8    C        11.8610  -10.1718   11.5798  C     
9    C        12.4682   -9.4640   10.5895  C     
10   C        13.5237   -8.5734   10.8916  C     
11   C        13.4601   -9.3425   13.1251  C     
12   C        12.8572  -10.3352   14.8992  C     
13   N        14.0047   -8.5483   12.1710  N     
14   N        12.4126  -10.1397   12.8207  N     
15   N        12.0428  -10.7510   13.9117  N     
16   N        13.7518   -9.4542   14.4290  N     
17   S         6.4083  -10.7726    7.3284  S     
18   O         5.3242  -11.9345    7.4049  O     
19   O         5.6459   -9.4274    7.7078  O     
20   N        14.0978   -7.6704   10.0411  N     
21   C        13.8107   -7.3591    8.6640  C     
22   C        14.9980   -7.8274    7.7762  C     
23   C        14.7692   -7.4514    6.2877  C     
24   C        14.5254   -5.9254    6.1054  C     
25   C        13.3880   -5.4145    7.0311  C     
26   C        13.6079   -5.8265    8.5149  C     
27   N        14.2199   -5.6224    4.6983  N     
28   C         6.9995  -10.7649    5.6819  C     
29   C         7.9201  -10.8296    3.0066  C     
30   C         6.8753   -9.9605    3.3740  C     
31   C         6.4165   -9.9308    4.7019  C     
32   C         8.0459  -11.6378    5.3039  C     
33   C         8.5038  -11.6681    3.9731  C     
34   H         8.2644   -8.8213    8.2259  H     
35   H        10.1214   -8.8419    9.8913  H     
36   H         9.1311  -12.8530   10.7857  H     
37   H         7.3885  -12.8443    9.1328  H     
38   H        10.6425  -11.6600   12.0214  H     
39   H        12.0798   -9.5528    9.6431  H     
40   H        12.7851  -10.6215   15.8730  H     
41   H        14.7904   -7.1061   10.4300  H     
42   H        12.9022   -7.8388    8.2970  H     
43   H        15.9300   -7.3665    8.1238  H     
44   H        15.1097   -8.9126    7.8606  H     
45   H        15.6473   -7.7515    5.7146  H     
46   H        13.9145   -8.0126    5.8988  H     
47   H        15.4401   -5.3850    6.3626  H     
48   H        13.3561   -4.3239    6.9727  H     
49   H        12.4244   -5.7988    6.6836  H     
50   H        12.7382   -5.5237    9.1054  H     
51   H        14.4815   -5.2949    8.9064  H     
52   H        15.0658   -5.7358    4.1339  H     
53   H        13.8764   -4.6626    4.6164  H     
54   H        13.5012   -6.2628    4.3608  H     
55   H         8.2507  -10.8524    2.0383  H     
56   H         6.4485   -9.3524    2.6703  H     
57   H         5.6563   -9.2946    4.9469  H     
58   H         8.4825  -12.2562    5.9915  H     
59   H         9.2599  -12.3041    3.7050  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    6   17 1
     9    7    8 1
    10    8    9 2
    11    8   14 1
    12    9   10 1
    13   10   13 2
    14   10   20 1
    15   11   13 1
    16   11   14 1
    17   11   16 2
    18   12   15 2
    19   12   16 1
    20   14   15 1
    21   17   18 2
    22   17   19 2
    23   17   28 1
    24   21   20 1
    25   21   22 1
    26   21   26 1
    27   22   23 1
    28   23   24 1
    29   24   25 1
    30   24   27 1
    31   25   26 1
    32   28   31 2
    33   28   32 1
    34   29   30 2
    35   29   33 1
    36   30   31 1
    37   32   33 2
    38    1   34 1
    39    2   35 1
    40    4   36 1
    41    5   37 1
    42    7   38 1
    43    9   39 1
    44   12   40 1
    45   20   41 1
    46   21   42 1
    47   22   43 1
    48   22   44 1
    49   23   45 1
    50   23   46 1
    51   24   47 1
    52   25   48 1
    53   25   49 1
    54   26   50 1
    55   26   51 1
    56   27   52 1
    57   27   53 1
    58   27   54 1
    59   29   55 1
    60   30   56 1
    61   31   57 1
    62   32   58 1
    63   33   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.6147
  Crash		| -2.2242
  Polar		| 5.6178
  FragIndex	| 1
  FragRMSD	| 0.610