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

@<TRIPOS>MOLECULE
19188
   11    11     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1           -1.119726    4.102039    0.391138 C.2      1 SUBUNIT    0.0000
      2 C1            0.007658    4.249715   -0.302215 C.2      1 SUBUNIT    0.0000
      3 C2            0.919991    3.115875   -0.473696 C.2      1 SUBUNIT    0.0000
      4 C3            0.626489    1.929743    0.057336 C.2      1 SUBUNIT    0.0000
      5 C4           -0.623253    1.772986    0.829782 C.2      1 SUBUNIT    0.0000
      6 C5           -1.449395    2.805868    0.984884 C.2      1 SUBUNIT    0.0000
      7 O6            1.537029    0.857050   -0.120883 O.3      1 SUBUNIT    0.0000
      8 C7            1.096382   -0.385917    0.470185 C.3      1 SUBUNIT    0.0000
      9 C8            0.113612   -1.100566   -0.434815 C.2      1 SUBUNIT    0.0000
     10 O9           -0.188230   -0.614384   -1.530851 O.2      1 SUBUNIT    0.0000
     11 O10          -0.445859   -2.309135   -0.034023 O.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1    9   11 1
     2    9   10 2
     3    8    9 1
     4    7    8 1
     5    4    7 1
     6    6    1 1
     7    5    6 2
     8    4    5 1
     9    3    4 2
    10    2    3 1
    11    1    2 2
@<SCITEGIC>MOL_PROPERTY
Clean Energy
SciTegic.value.DoubleValue
1.495857

@<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
11 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
11 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
11 1.00