@<TRIPOS>MOLECULE
BindingDB_12028
 26 27 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        25.4464   29.9039    9.1367  C     
2    C        24.3476   29.2270    9.7066  C     
3    C        23.3109   29.9522   10.3241  C     
4    C        23.3697   31.3653   10.3838  C     
5    C        24.4465   32.0395    9.7923  C     
6    C        25.4711   31.3144    9.1564  C     
7    N        26.5225   29.2834    8.6249  N     
8    N        26.7698   28.0112    8.6646  N     
9    C        27.8904   27.4671    8.1489  C     
10   C        28.2754   26.1384    8.3189  C     
11   C        28.9326   28.0479    7.4259  C     
12   N        27.5846   25.2061    8.9922  N     
13   N        29.0784   29.3128    7.0010  N     
14   N        29.4716   25.9638    7.7307  N     
15   N        29.8425   27.0865    7.2019  N     
16   O        22.4234   32.0746   11.0319  O     
17   H        24.3051   28.2069    9.6852  H     
18   H        22.5233   29.4444   10.7520  H     
19   H        24.4860   33.0595    9.8401  H     
20   H        26.2524   31.8311    8.7478  H     
21   H        27.9389   24.3066    9.0717  H     
22   H        26.7327   25.4310    9.4055  H     
23   H        29.8700   29.5721    6.5027  H     
24   H        28.3869   29.9684    7.1855  H     
25   H        30.6739   27.2204    6.7233  H     
26   H        22.2349   31.5787   11.8612  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    4   16 1
     8    5    6 2
     9    7    8 2
    10    8    9 1
    11    9   10 1
    12    9   11 2
    13   10   12 1
    14   10   14 2
    15   11   13 1
    16   11   15 1
    17   14   15 1
    18    2   17 1
    19    3   18 1
    20    5   19 1
    21    6   20 1
    22   12   21 1
    23   12   22 1
    24   13   23 1
    25   13   24 1
    26   15   25 1
    27   16   26 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.1688
  Crash		| -1.3690
  Polar		| 1.8008
  FragIndex	| 1
  FragRMSD	| 1.296