#	Created by:	Discovery Studio
#	Creation time:	2017-09-03T17:49:06Z

@<TRIPOS>MOLECULE
443160
   10    10     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1           -1.568358    3.049810    0.342113 C.3      1 SUBUNIT    0.0000
      2 C1           -0.516184    2.037112   -0.003374 C.2      1 SUBUNIT    0.0000
      3 C2            0.760966    2.280996    0.292628 C.2      1 SUBUNIT    0.0000
      4 C3            1.822822    1.293469   -0.112339 C.3      1 SUBUNIT    0.0000
      5 C4            1.328470   -0.184947   -0.133695 C.3      1 SUBUNIT    0.0000
      6 C5           -0.053789   -0.254118   -0.749023 C.2      1 SUBUNIT    0.0000
      7 C6           -0.899926    0.780348   -0.678239 C.2      1 SUBUNIT    0.0000
      8 C7            1.380686   -0.940108    1.259308 C.3      1 SUBUNIT    0.0000
      9 C8            0.439535   -0.382261    2.355158 C.3      1 SUBUNIT    0.0000
     10 C9            2.826513   -0.930422    1.790417 C.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1    8   10 1
     2    8    9 1
     3    5    8 1
     4    7    2 1
     5    6    7 2
     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
13.732635

@<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