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


@<TRIPOS>ATOM
1    C        93.1114   73.9724   -6.7256  C     
2    C        92.8224   75.1459   -6.0438  C     
3    N        92.7082   72.7490   -6.2454  N     
4    N        91.6562   73.8497   -4.4180  N     
5    C        91.9505   72.7199   -5.1225  C     
6    C        92.1158   75.0471   -4.8598  C     
7    N        93.8161   74.3075   -7.8224  N     
8    N        93.3396   76.1774   -6.7465  N     
9    C        93.9467   75.6452   -7.8232  C     
10   O        91.5588   71.6220   -4.7298  O     
11   O        91.9618   76.0878   -4.2305  O     
12   C        90.9270   73.8042   -3.1435  C     
13   C        93.1841   71.5797   -6.9531  C     
14   O        88.9658   77.7551   -3.4405  O     
15   C        89.6368   78.0805   -2.4705  C     
16   C        93.2638   77.5730   -6.4297  C     
17   C        90.3772   77.0640   -1.7266  C     
18   C        89.7265   79.5098   -2.1958  C     
19   C        89.7377   74.8190   -3.0198  C     
20   C        89.7134   75.6465   -1.6944  C     
21   H        94.4492   76.1669   -8.5482  H     
22   H        90.5067   72.8189   -2.9206  H     
23   H        91.6530   73.9648   -2.3471  H     
24   H        92.8552   71.6062   -7.9931  H     
25   H        92.8404   70.6359   -6.5252  H     
26   H        94.2777   71.5649   -6.9396  H     
27   H        92.2208   77.8915   -6.4172  H     
28   H        93.7991   78.1835   -7.1607  H     
29   H        93.7023   77.7554   -5.4483  H     
30   H        91.3788   77.0105   -2.1626  H     
31   H        90.5025   77.3858   -0.6851  H     
32   H        90.1026   80.0351   -3.0776  H     
33   H        90.3941   79.7412   -1.3642  H     
34   H        88.7364   79.9042   -1.9533  H     
35   H        89.7223   75.5172   -3.8597  H     
36   H        88.7987   74.2492   -3.0783  H     
37   H        90.2174   75.0489   -0.9305  H     
38   H        88.6697   75.7563   -1.3741  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	| 4.8911
  Crash		| -0.8885
  Polar		| 0.7337
  FragIndex	| 1
  FragRMSD	| 0.232