@<TRIPOS>MOLECULE
BindingDB_10850
 38 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        91.9517   68.6098   -3.8383  C     
2    C        90.9675   68.1829   -4.7204  C     
3    N        93.1879   69.0231   -4.2851  N     
4    N        92.5359   68.4161   -6.4953  N     
5    C        93.4453   68.9196   -5.6098  C     
6    C        91.2959   68.0932   -6.0651  C     
7    N        91.4419   68.5678   -2.5962  N     
8    N        89.8499   67.9479   -4.0014  N     
9    C        90.1726   68.1524   -2.7078  C     
10   O        94.5302   69.3298   -6.0187  O     
11   O        90.4278   67.6724   -6.8188  O     
12   C        92.9141   68.1839   -7.8921  C     
13   C        94.0977   69.5797   -3.3038  C     
14   O        91.5509   65.9923  -11.0481  O     
15   C        92.1619   64.9637  -10.7938  C     
16   C        88.5456   67.6302   -4.4975  C     
17   C        93.3056   65.0115   -9.8867  C     
18   C        91.7371   63.7321  -11.4341  C     
19   C        93.8202   66.9242   -8.0632  C     
20   C        93.9679   66.3982   -9.5402  C     
21   H        89.5392   68.0444   -1.9128  H     
22   H        92.0490   68.0637   -8.5590  H     
23   H        93.4584   69.0623   -8.2807  H     
24   H        93.6783   70.5063   -2.8933  H     
25   H        95.0837   69.8122   -3.7010  H     
26   H        94.2398   68.8748   -2.4782  H     
27   H        88.2234   68.4104   -5.1879  H     
28   H        87.8092   67.5725   -3.6916  H     
29   H        88.5594   66.6782   -5.0186  H     
30   H        93.0020   64.5257   -8.9508  H     
31   H        94.0918   64.3761  -10.3158  H     
32   H        90.6943   63.5417  -11.1749  H     
33   H        92.3487   62.8895  -11.0953  H     
34   H        91.8265   63.8242  -12.5217  H     
35   H        94.8261   67.1821   -7.7020  H     
36   H        93.4375   66.1237   -7.4153  H     
37   H        95.0508   66.3128   -9.7587  H     
38   H        93.5971   67.1647  -10.2413  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    7 1
     4    2    6 1
     5    2    8 1
     6    3    5 1
     7    3   13 1
     8    4    5 1
     9    4    6 1
    10    4   12 1
    11    5   10 2
    12    6   11 2
    13    7    9 2
    14    8    9 1
    15    8   16 1
    16   12   19 1
    17   14   15 2
    18   15   17 1
    19   15   18 1
    20   17   20 1
    21   19   20 1
    22    9   21 1
    23   12   22 1
    24   12   23 1
    25   13   24 1
    26   13   25 1
    27   13   26 1
    28   16   27 1
    29   16   28 1
    30   16   29 1
    31   17   30 1
    32   17   31 1
    33   18   32 1
    34   18   33 1
    35   18   34 1
    36   19   35 1
    37   19   36 1
    38   20   37 1
    39   20   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.0487
  Crash		| -1.2169
  Polar		| 3.0956
  FragIndex	| 1
  FragRMSD	| 0.535