#	Created by:	Discovery Studio
#	Creation time:	2017-09-03T17:49:00Z

@<TRIPOS>MOLECULE
10819
   11    11     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1            4.152628    1.673243   -0.175253 C.3      1 SUBUNIT    0.0000
      2 C1            2.748016    2.192722   -0.041477 C.2      1 SUBUNIT    0.0000
      3 C2            2.513766    3.498441   -0.160348 C.2      1 SUBUNIT    0.0000
      4 C3            1.611049    1.241930    0.245109 C.3      1 SUBUNIT    0.0000
      5 C4            1.875337   -0.150424   -0.297726 C.3      1 SUBUNIT    0.0000
      6 C5            0.774304   -1.091329    0.236350 C.3      1 SUBUNIT    0.0000
      7 C6           -0.620487   -0.493838    0.125801 C.2      1 SUBUNIT    0.0000
      8 C7           -0.829277    0.804610   -0.124426 C.2      1 SUBUNIT    0.0000
      9 C8            0.293257    1.792010   -0.318802 C.3      1 SUBUNIT    0.0000
     10 C9           -1.807384   -1.388310    0.331368 C.3      1 SUBUNIT    0.0000
     11 O10          -3.007883   -0.623903    0.197092 O.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1   10   11 1
     2    7   10 1
     3    9    4 1
     4    8    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 2
    11    1    2 1
@<SCITEGIC>MOL_PROPERTY
Clean Energy
SciTegic.value.DoubleValue
6.341026

@<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