#	Created by:	Discovery Studio
#	Creation time:	2017-09-03T17:49:17Z

@<TRIPOS>MOLECULE
7478
   11    11     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1            5.382819    1.505144   -0.013345 C.3      1 SUBUNIT    0.0000
      2 O1            4.908032    0.167116    0.190925 O.3      1 SUBUNIT    0.0000
      3 C2            3.506273    0.115770    0.147424 C.2      1 SUBUNIT    0.0000
      4 C3            2.887936   -1.051781    0.318096 C.2      1 SUBUNIT    0.0000
      5 C4            1.425836   -1.122605    0.275586 C.2      1 SUBUNIT    0.0000
      6 C5            0.710400   -0.019118    0.066045 C.2      1 SUBUNIT    0.0000
      7 C6            1.383040    1.266965   -0.122269 C.2      1 SUBUNIT    0.0000
      8 C7            2.712686    1.334104   -0.084062 C.2      1 SUBUNIT    0.0000
      9 C8           -0.746850   -0.092299    0.024106 C.2      1 SUBUNIT    0.0000
     10 O9           -1.411050    0.931732   -0.170358 O.2      1 SUBUNIT    0.0000
     11 O10          -1.386508   -1.314188    0.202997 O.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1    9   11 1
     2    9   10 2
     3    6    9 1
     4    8    3 1
     5    7    8 2
     6    6    7 1
     7    5    6 2
     8    4    5 1
     9    3    4 2
    10    2    3 1
    11    1    2 1
@<SCITEGIC>MOL_PROPERTY
Clean Energy
SciTegic.value.DoubleValue
-0.825521

@<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