@<TRIPOS>MOLECULE
BindingDB_18782
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.3725    1.2040   14.1206  C     
2    C        29.2089    1.6047   12.7927  C     
3    C        28.3361    2.6633   12.4665  C     
4    C        27.6388    3.3284   13.4947  C     
5    C        27.8323    2.9422   14.8280  C     
6    C        28.6917    1.8601   15.1862  C     
7    C        28.1501    3.0154   11.1185  C     
8    C        27.3663    2.1821   10.2861  C     
9    C        28.0096    3.4363    8.3950  C     
10   C        28.7967    4.1352   10.5296  C     
11   N        26.6136    1.1627   10.7546  N     
12   N        28.0142    3.6136    7.0657  N     
13   N        27.3322    2.4028    8.9493  N     
14   N        28.6889    4.2958    9.1846  N     
15   C        29.5983    5.1562   11.2577  C     
16   C        30.9232    4.5989   11.8346  C     
17   C        28.8758    1.4714   16.6397  C     
18   C        29.4582    0.0281   16.8486  C     
19   C        29.8766    2.4859   17.2846  C     
20   C        27.5057    1.5257   17.4077  C     
21   H        30.0152    0.4319   14.2867  H     
22   H        29.7434    1.1223   12.0582  H     
23   H        26.9977    4.0980   13.2838  H     
24   H        27.3339    3.4789   15.5467  H     
25   H        26.0723    0.6411   10.1396  H     
26   H        26.5724    0.9567   11.7094  H     
27   H        28.5715    4.3145    6.6817  H     
28   H        27.5125    3.0176    6.4868  H     
29   H        29.8421    5.9795   10.5827  H     
30   H        28.9999    5.5816   12.0658  H     
31   H        30.7343    3.8242   12.5850  H     
32   H        31.4895    5.4121   12.2994  H     
33   H        31.5298    4.1747   11.0289  H     
34   H        28.8462   -0.7040   16.3213  H     
35   H        29.4585   -0.2582   17.9009  H     
36   H        30.4819   -0.0469   16.4623  H     
37   H        30.8398    2.4511   16.7656  H     
38   H        30.0480    2.2481   18.3380  H     
39   H        29.4985    3.5077   17.2292  H     
40   H        27.1236    2.5427   17.4956  H     
41   H        27.6183    1.1319   18.4203  H     
42   H        26.7520    0.9275   16.8912  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    3    4 1
     5    3    7 1
     6    4    5 2
     7    5    6 1
     8    6   17 1
     9    7    8 1
    10    7   10 2
    11    8   11 1
    12    8   13 2
    13    9   12 1
    14    9   13 1
    15    9   14 2
    16   10   14 1
    17   10   15 1
    18   15   16 1
    19   17   18 1
    20   17   19 1
    21   17   20 1
    22    1   21 1
    23    2   22 1
    24    4   23 1
    25    5   24 1
    26   11   25 1
    27   11   26 1
    28   12   27 1
    29   12   28 1
    30   15   29 1
    31   15   30 1
    32   16   31 1
    33   16   32 1
    34   16   33 1
    35   18   34 1
    36   18   35 1
    37   18   36 1
    38   19   37 1
    39   19   38 1
    40   19   39 1
    41   20   40 1
    42   20   41 1
    43   20   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.7706
  Crash		| -3.3242
  Polar		| 1.8921
  FragIndex	| 1
  FragRMSD	| 1.193