#	Created by:	Discovery Studio
#	Creation time:	2017-09-03T17:49:02Z

@<TRIPOS>MOLECULE
26447
   11    11     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1           -3.309822    0.349073    0.132836 C.3      1 SUBUNIT    0.0000
      2 C1           -1.825261    0.692022   -0.082136 C.3      1 SUBUNIT    0.0000
      3 C2           -1.112052    0.934227    1.252482 C.3      1 SUBUNIT    0.0000
      4 C3            0.264369    1.477882    0.840377 C.3      1 SUBUNIT    0.0000
      5 C4            1.159434    0.452321    0.076199 C.3      1 SUBUNIT    0.0000
      6 C5            0.362096   -0.398409   -0.900815 C.2      1 SUBUNIT    0.0000
      7 O6            0.960304   -1.260176   -1.554888 O.2      1 SUBUNIT    0.0000
      8 C7           -1.160364   -0.468777   -0.853325 C.3      1 SUBUNIT    0.0000
      9 C8            2.072544   -0.471379    0.965415 C.3      1 SUBUNIT    0.0000
     10 C9            1.290683   -1.476623    1.846038 C.3      1 SUBUNIT    0.0000
     11 C10           2.971352    0.400249    1.862748 C.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1    9   11 1
     2    9   10 1
     3    5    9 1
     4    8    2 1
     5    6    8 1
     6    6    7 2
     7    5    6 1
     8    4    5 1
     9    3    4 1
    10    2    3 1
    11    1    2 1
@<SCITEGIC>MOL_PROPERTY
Clean Energy
SciTegic.value.DoubleValue
17.345917

@<SCITEGIC>ATOM_PROPERTY
Formal Charge
SciTegic.value.StringValue
1 0
2 0
3 0
4 0
5 0
6 0
7 0
8 0
9 0
10 0
11 0

@<SCITEGIC>ATOM_PROPERTY
pdb_tempFactor
SciTegic.value.DoubleValue
1 0.00
2 0.00
3 0.00
4 0.00
5 0.00
6 0.00
7 0.00
8 0.00
9 0.00
10 0.00
11 0.00

@<SCITEGIC>ATOM_PROPERTY
pdb_occupancy
SciTegic.value.DoubleValue
1 1.00
2 1.00
3 1.00
4 1.00
5 1.00
6 1.00
7 1.00
8 1.00
9 1.00
10 1.00
11 1.00