#	Created by:	Discovery Studio
#	Creation time:	2017-09-03T17:49:16Z

@<TRIPOS>MOLECULE
22311
   10    10     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1            4.410172    2.458169    0.751204 C.3      1 SUBUNIT    0.0000
      2 C1            3.094432    1.778879    0.505621 C.2      1 SUBUNIT    0.0000
      3 C2            1.968494    2.407426    0.865417 C.2      1 SUBUNIT    0.0000
      4 C3            0.599227    1.800880    0.688050 C.3      1 SUBUNIT    0.0000
      5 C4            0.693386    0.280237    0.497760 C.3      1 SUBUNIT    0.0000
      6 C5            1.692811   -0.052601   -0.594742 C.3      1 SUBUNIT    0.0000
      7 C6            3.092379    0.390248   -0.116828 C.3      1 SUBUNIT    0.0000
      8 C7           -0.670665   -0.304930    0.222540 C.2      1 SUBUNIT    0.0000
      9 C8           -1.761761    0.286413    0.705993 C.2      1 SUBUNIT    0.0000
     10 C9           -0.803195   -1.568124   -0.582122 C.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1    8   10 1
     2    8    9 2
     3    5    8 1
     4    7    2 1
     5    6    7 1
     6    5    6 1
     7    4    5 1
     8    3    4 1
     9    2    3 2
    10    1    2 1
@<SCITEGIC>MOL_PROPERTY
Clean Energy
SciTegic.value.DoubleValue
6.611882

@<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

@<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

@<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