#	Created by:	Discovery Studio
#	Creation time:	2017-09-03T17:49:14Z

@<TRIPOS>MOLECULE
18818
   10    11     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1           -1.441257    2.724065    1.991798 C.3      1 SUBUNIT    0.0000
      2 C1           -1.976364    1.819007    0.867240 C.3      1 SUBUNIT    0.0000
      3 C2           -3.148887    0.973624    1.408178 C.3      1 SUBUNIT    0.0000
      4 C3           -0.845474    0.894249    0.366672 C.3      1 SUBUNIT    0.0000
      5 C4            0.456317    1.550702   -0.116718 C.3      1 SUBUNIT    0.0000
      6 C5            1.356930    0.344954   -0.499935 C.3      1 SUBUNIT    0.0000
      7 C6            0.398991   -0.816022   -0.649139 C.2      1 SUBUNIT    0.0000
      8 C7            0.828875   -2.042320   -0.939825 C.2      1 SUBUNIT    0.0000
      9 C8           -1.021872   -0.555944   -0.252026 C.3      1 SUBUNIT    0.0000
     10 C9           -1.547223    0.570916   -0.996082 C.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1   10    4 1
     2    9   10 1
     3    9    4 1
     4    7    9 1
     5    7    8 2
     6    6    7 1
     7    5    6 1
     8    4    5 1
     9    2    4 1
    10    2    3 1
    11    1    2 1
@<SCITEGIC>MOL_PROPERTY
Clean Energy
SciTegic.value.DoubleValue
64.452164

@<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