@<TRIPOS>MOLECULE
BindingDB_30179
 36 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       237.5549   82.5508  184.4383  C     
2    C       236.3594   82.9250  183.7760  C     
3    N       236.4999   83.7195  182.6736  N     
4    C       237.6872   84.1554  182.1801  C     
5    C       238.8822   83.7926  182.8225  C     
6    C       238.8304   82.9726  183.9784  C     
7    C       240.0056   82.5802  184.6874  C     
8    C       241.2896   81.5921  186.1977  C     
9    N       240.0310   81.7776  185.7754  N     
10   C       241.3322   82.9333  184.4222  C     
11   C       243.3200   80.8147  187.4905  C     
12   C       241.7592   80.8082  187.3553  C     
13   C       242.1376   82.3127  185.3682  C     
14   C       243.4993   82.3361  185.5687  C     
15   N       244.0442   81.6405  186.5584  N     
16   O       244.2264   82.9873  184.8361  O     
17   C       235.0409   82.5287  184.2043  C     
18   C       232.6064   82.8705  184.1706  C     
19   N       232.4361   81.8002  184.9842  N     
20   C       233.4836   81.0643  185.4297  C     
21   C       234.7972   81.4001  185.0397  C     
22   C       233.8999   83.2570  183.7745  C     
23   H       237.4938   81.9881  185.2861  H     
24   H       237.7053   84.7429  181.3422  H     
25   H       239.7665   84.1395  182.4432  H     
26   H       239.2515   81.3881  186.2030  H     
27   H       241.6671   83.5444  183.6771  H     
28   H       243.5877   81.1456  188.4961  H     
29   H       243.6921   79.7953  187.3706  H     
30   H       241.3069   81.2320  188.2555  H     
31   H       241.4021   79.7817  187.2464  H     
32   H       245.0094   81.6746  186.6500  H     
33   H       231.7901   83.3947  183.8503  H     
34   H       233.3062   80.2517  186.0258  H     
35   H       235.5575   80.7921  185.3474  H     
36   H       233.9887   84.0706  183.1629  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2   17 1
     5    3    4 1
     6    4    5 2
     7    5    6 1
     8    6    7 1
     9    7    9 1
    10    7   10 2
    11    8    9 1
    12    8   12 1
    13    8   13 2
    14   10   13 1
    15   11   12 1
    16   11   15 1
    17   13   14 1
    18   14   15 1
    19   14   16 2
    20   17   21 1
    21   17   22 2
    22   18   19 2
    23   18   22 1
    24   19   20 1
    25   20   21 2
    26    1   23 1
    27    4   24 1
    28    5   25 1
    29    9   26 1
    30   10   27 1
    31   11   28 1
    32   11   29 1
    33   12   30 1
    34   12   31 1
    35   15   32 1
    36   18   33 1
    37   20   34 1
    38   21   35 1
    39   22   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.3403
  Crash		| -0.4109
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 1.411