@<TRIPOS>MOLECULE
BindingDB_11313
 28 30 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        23.4439    8.4360   15.5922  C     
2    C        21.5242   10.2015   16.7587  C     
3    C        22.0459   10.4623   15.4875  C     
4    C        22.9780    9.5935   14.9170  C     
5    C        22.0146    9.1060   17.5280  C     
6    C        23.0243    8.2506   16.9584  C     
7    C        23.6385    7.3252   17.8270  C     
8    C        21.5698    8.8789   18.8549  C     
9    C        22.0378    7.8027   19.6139  C     
10   C        23.1120    7.0267   19.0907  C     
11   C        23.6614    5.9867   19.8816  C     
12   C        23.1356    5.6761   21.1435  C     
13   C        22.0502    6.4081   21.6407  C     
14   C        21.5070    7.4672   20.8931  C     
15   O        24.8012    7.0040   17.6258  O     
16   O        20.8458    9.7020   19.3984  O     
17   O        20.5415   11.0336   17.1972  O     
18   N        24.2351    7.5714   14.8716  N     
19   O        24.4547    6.3317   15.1997  O     
20   O        24.6627    7.8252   13.7748  O     
21   O        20.4532    8.1070   21.4694  O     
22   H        21.7159   11.2684   14.9552  H     
23   H        23.2750    9.7979   13.9571  H     
24   H        24.4537    5.4370   19.5470  H     
25   H        23.5391    4.9198   21.6982  H     
26   H        21.6586    6.1659   22.5514  H     
27   H        20.8612   11.9549   17.0267  H     
28   H        19.7864    8.2181   20.7561  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    1   18 am
     4    2    3 2
     5    2    5 1
     6    2   17 1
     7    3    4 1
     8    5    6 2
     9    5    8 1
    10    6    7 1
    11    7   10 1
    12    7   15 2
    13    8    9 1
    14    8   16 2
    15    9   10 2
    16    9   14 1
    17   10   11 1
    18   11   12 2
    19   12   13 1
    20   13   14 2
    21   14   21 1
    22   18   19 1
    23   18   20 2
    24    3   22 1
    25    4   23 1
    26   11   24 1
    27   12   25 1
    28   13   26 1
    29   17   27 1
    30   21   28 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.4123
  Crash		| -2.0695
  Polar		| 1.2340
  FragIndex	| 1
  FragRMSD	| 0.512