#	Created by:	Discovery Studio
#	Creation time:	2017-09-03T17:49:13Z

@<TRIPOS>MOLECULE
440968
   10    11     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1            0.760847   -1.529714    0.573824 C.3      1 SUBUNIT    0.0000
      2 C1            0.554574   -0.090588    0.195912 C.2      1 SUBUNIT    0.0000
      3 C2            1.598021    0.749579    0.160592 C.2      1 SUBUNIT    0.0000
      4 C3            1.360353    2.207627   -0.230811 C.3      1 SUBUNIT    0.0000
      5 C4           -0.171235    2.454686   -0.423715 C.3      1 SUBUNIT    0.0000
      6 C5           -0.870045    1.741212    0.747283 C.3      1 SUBUNIT    0.0000
      7 C6           -0.850744    0.425082   -0.113843 C.3      1 SUBUNIT    0.0000
      8 C7           -0.809932    1.406184   -1.334798 C.3      1 SUBUNIT    0.0000
      9 C8           -2.236759    1.851808   -1.726614 C.3      1 SUBUNIT    0.0000
     10 C9           -0.025037    0.923907   -2.596660 C.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1    8   10 1
     2    8    9 1
     3    8    5 1
     4    7    8 1
     5    7    2 1
     6    6    7 1
     7    5    6 1
     8    4    5 1
     9    3    4 1
    10    2    3 2
    11    1    2 1
@<SCITEGIC>MOL_PROPERTY
Clean Energy
SciTegic.value.DoubleValue
29.886246

@<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