@<TRIPOS>MOLECULE
BindingDB_18790
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.0359    2.0530   15.1244  C     
2    C        27.0459    2.5223   13.7936  C     
3    C        28.1800    2.3486   12.9734  C     
4    C        29.3112    1.6976   13.5200  C     
5    C        29.3167    1.2533   14.8578  C     
6    C        28.1878    1.4515   15.6635  C     
7    C        28.1596    2.7412   11.6050  C     
8    C        27.3072    2.0747   10.6863  C     
9    C        28.2057    3.3200    8.8843  C     
10   C        29.0286    3.7389   11.0802  C     
11   N        26.4564    1.0860   11.0354  N     
12   N        28.2706    3.5656    7.5669  N     
13   N        27.3700    2.3711    9.3644  N     
14   N        29.0080    3.9839    9.7477  N     
15   C        30.0198    4.5326   11.8617  C     
16   C        29.4147    5.7357   12.6314  C     
17   C        28.4178    5.3303   13.7543  C     
18   C        28.0543    6.5021   14.7122  C     
19   C        26.8601    6.1521   15.6456  C     
20   C        27.2931    5.5564   17.0136  C     
21   H        26.2035    2.1679   15.6990  H     
22   H        26.2081    2.9724   13.4201  H     
23   H        30.1423    1.5336   12.9482  H     
24   H        30.1411    0.7860   15.2389  H     
25   H        28.1766    1.1185   16.6301  H     
26   H        25.9336    0.6495   10.3481  H     
27   H        26.3641    0.8105   11.9634  H     
28   H        28.9121    4.2063    7.2322  H     
29   H        27.7234    3.0526    6.9488  H     
30   H        30.5894    3.9054   12.5585  H     
31   H        30.7641    4.9385   11.1677  H     
32   H        30.2503    6.2941   13.0821  H     
33   H        28.9105    6.4095   11.9240  H     
34   H        27.4838    4.9830   13.2908  H     
35   H        28.8480    4.5077   14.3368  H     
36   H        28.9271    6.7721   15.3200  H     
37   H        27.7884    7.3819   14.1068  H     
38   H        26.2908    7.0744   15.8323  H     
39   H        26.1821    5.4525   15.1367  H     
40   H        27.9077    4.6583   16.8826  H     
41   H        26.4176    5.2966   17.6098  H     
42   H        27.8770    6.3084   17.5592  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    7    8 1
     9    7   10 2
    10    8   11 1
    11    8   13 2
    12    9   12 1
    13    9   13 1
    14    9   14 2
    15   10   14 1
    16   10   15 1
    17   15   16 1
    18   16   17 1
    19   17   18 1
    20   18   19 1
    21   19   20 1
    22    1   21 1
    23    2   22 1
    24    4   23 1
    25    5   24 1
    26    6   25 1
    27   11   26 1
    28   11   27 1
    29   12   28 1
    30   12   29 1
    31   15   30 1
    32   15   31 1
    33   16   32 1
    34   16   33 1
    35   17   34 1
    36   17   35 1
    37   18   36 1
    38   18   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	| 6.3491
  Crash		| -0.7175
  Polar		| 2.8456
  FragIndex	| 1
  FragRMSD	| 0.971