@<TRIPOS>MOLECULE
BindingDB_18791
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.1620    0.8717   15.0348  C     
2    C        29.1866    1.1495   13.6559  C     
3    C        28.2195    1.9975   13.0655  C     
4    C        27.2009    2.5398   13.8807  C     
5    C        27.1574    2.2521   15.2579  C     
6    C        28.1411    1.4260   15.8377  C     
7    C        28.3074    2.3673   11.6953  C     
8    C        27.2944    1.9929   10.7730  C     
9    C        28.3988    3.1390    9.0247  C     
10   C        29.3865    3.1552   11.1995  C     
11   N        26.2509    1.2121   11.1084  N     
12   N        28.4589    3.5047    7.7368  N     
13   N        27.3715    2.3863    9.4765  N     
14   N        29.3785    3.4993    9.8847  N     
15   C        30.5571    3.5508   12.0383  C     
16   C        31.6094    4.5262   11.4402  C     
17   C        31.2803    6.0405   11.5573  C     
18   C        30.6548    6.4421   12.8510  C     
19   C        31.3123    6.2051   14.0834  C     
20   C        30.7069    6.5612   15.3025  C     
21   C        29.4366    7.1668   15.3061  C     
22   C        28.7735    7.4189   14.0917  C     
23   C        29.3799    7.0549   12.8755  C     
24   H        29.8691    0.2691   15.4545  H     
25   H        29.9405    0.7396   13.0894  H     
26   H        26.4958    3.1544   13.4767  H     
27   H        26.4148    2.6487   15.8381  H     
28   H        28.1172    1.2227   16.8405  H     
29   H        25.6077    0.9425   10.4360  H     
30   H        26.1634    0.8713   12.0109  H     
31   H        29.2055    4.0423    7.4185  H     
32   H        27.7651    3.2261    7.1180  H     
33   H        30.1975    3.9822   12.9744  H     
34   H        31.0890    2.6297   12.2969  H     
35   H        32.5604    4.3474   11.9465  H     
36   H        31.7726    4.2731   10.3916  H     
37   H        32.2128    6.6024   11.4453  H     
38   H        30.6434    6.3154   10.7117  H     
39   H        32.2395    5.7682   14.1028  H     
40   H        31.1912    6.3821   16.1865  H     
41   H        28.9950    7.4238   16.1917  H     
42   H        27.8480    7.8532   14.0925  H     
43   H        28.8839    7.2340   12.0022  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 2
    21   18   23 1
    22   19   20 1
    23   20   21 2
    24   21   22 1
    25   22   23 2
    26    1   24 1
    27    2   25 1
    28    4   26 1
    29    5   27 1
    30    6   28 1
    31   11   29 1
    32   11   30 1
    33   12   31 1
    34   12   32 1
    35   15   33 1
    36   15   34 1
    37   16   35 1
    38   16   36 1
    39   17   37 1
    40   17   38 1
    41   19   39 1
    42   20   40 1
    43   21   41 1
    44   22   42 1
    45   23   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.1754
  Crash		| -1.1028
  Polar		| 2.7774
  FragIndex	| 1
  FragRMSD	| 1.151