#	Created by:	Discovery Studio
#	Creation time:	2017-09-03T17:49:10Z

@<TRIPOS>MOLECULE
5281553
   10     9     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1            4.506370   -0.123005   -1.552193 C.3      1 SUBUNIT    0.0000
      2 C1            3.790631    1.197418   -1.458995 C.2      1 SUBUNIT    0.0000
      3 C2            2.633537    1.296816   -0.804636 C.2      1 SUBUNIT    0.0000
      4 C3            2.023031    0.102232   -0.126754 C.3      1 SUBUNIT    0.0000
      5 C4            0.613151    0.434124    0.272376 C.2      1 SUBUNIT    0.0000
      6 C5           -0.086826   -0.379778    1.063005 C.2      1 SUBUNIT    0.0000
      7 C6            0.529875   -1.648315    1.592719 C.3      1 SUBUNIT    0.0000
      8 C7           -1.463887   -0.028553    1.418906 C.2      1 SUBUNIT    0.0000
      9 C8           -2.179766   -0.828595    2.206768 C.2      1 SUBUNIT    0.0000
     10 C9            4.378762    2.412368   -2.115277 C.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1    2   10 1
     2    8    9 2
     3    6    8 1
     4    6    7 1
     5    5    6 2
     6    4    5 1
     7    3    4 1
     8    2    3 2
     9    1    2 1
@<SCITEGIC>MOL_PROPERTY
Clean Energy
SciTegic.value.DoubleValue
-0.309106

@<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