@<TRIPOS>MOLECULE
BindingDB_12027
 26 27 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        25.5130   29.6970    9.2354  C     
2    C        24.4865   28.9875    9.8998  C     
3    C        23.3752   29.6696   10.4251  C     
4    C        23.2939   31.0729   10.3191  C     
5    C        24.3102   31.7828    9.6649  C     
6    C        25.4102   31.1004    9.1147  C     
7    N        26.6108   29.1087    8.7256  N     
8    N        26.9231   27.8536    8.7923  N     
9    C        28.0606   27.3539    8.2759  C     
10   C        28.4804   26.0445    8.4318  C     
11   C        29.0767   27.9723    7.5556  C     
12   N        27.8066   25.0682    9.0596  N     
13   N        29.1475   29.2497    7.1239  N     
14   N        29.6909   25.9102    7.8575  N     
15   N        30.0283   27.0529    7.3459  N     
16   O        22.3754   28.9752   11.0253  O     
17   H        24.5477   27.9645   10.0018  H     
18   H        22.5007   31.5693   10.7236  H     
19   H        24.2508   32.7992    9.5824  H     
20   H        26.1437   31.6328    8.6397  H     
21   H        28.1810   24.1721    9.1132  H     
22   H        26.9348   25.2509    9.4377  H     
23   H        29.9282   29.5535    6.6305  H     
24   H        28.4198   29.8653    7.3038  H     
25   H        30.8614   27.2104    6.8754  H     
26   H        22.7800   28.5646   11.8216  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    3   16 1
     7    4    5 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    4   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	| 1.6016
  Crash		| -1.4262
  Polar		| 1.5403
  FragIndex	| 1
  FragRMSD	| 1.337