@<TRIPOS>MOLECULE
BindingDB_18788
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.1026    2.4125   15.1599  C     
2    C        27.0764    2.7967   13.8067  C     
3    C        28.1230    2.4287   12.9343  C     
4    C        29.2083    1.6818   13.4481  C     
5    C        29.2366    1.3029   14.8047  C     
6    C        28.1856    1.6685   15.6636  C     
7    C        28.0906    2.7896   11.5641  C     
8    C        27.3499    2.0086   10.6388  C     
9    C        28.1180    3.3272    8.8344  C     
10   C        28.7870    3.9216   11.0488  C     
11   N        26.5640    0.9707   10.9971  N     
12   N        28.2159    3.5556    7.5110  N     
13   N        27.3958    2.2890    9.3114  N     
14   N        28.7543    4.1418    9.7033  N     
15   C        29.4561    4.9518   11.8941  C     
16   C        30.6239    5.7156   11.2261  C     
17   H        26.3444    2.6829   15.7898  H     
18   H        26.2897    3.3517   13.4626  H     
19   H        29.9797    1.4028   12.8420  H     
20   H        30.0242    0.7640   15.1715  H     
21   H        28.2052    1.3882   16.6500  H     
22   H        26.0642    0.4810   10.3201  H     
23   H        26.4361    0.7344   11.9299  H     
24   H        28.8047    4.2598    7.1823  H     
25   H        27.7802    2.9593    6.8762  H     
26   H        28.6975    5.6869   12.1816  H     
27   H        29.8498    4.5196   12.8189  H     
28   H        31.3855    5.0127   10.8759  H     
29   H        31.0873    6.3984   11.9393  H     
30   H        30.2630    6.3046   10.3788  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    1   17 1
    19    2   18 1
    20    4   19 1
    21    5   20 1
    22    6   21 1
    23   11   22 1
    24   11   23 1
    25   12   24 1
    26   12   25 1
    27   15   26 1
    28   15   27 1
    29   16   28 1
    30   16   29 1
    31   16   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.3360
  Crash		| -0.6252
  Polar		| 2.7524
  FragIndex	| 1
  FragRMSD	| 0.735