#	Created by:	Discovery Studio
#	Creation time:	2017-09-03T17:48:59Z

@<TRIPOS>MOLECULE
7093102
   11    11     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1            3.726148   -0.799903   -0.517783 C.3      1 SUBUNIT    0.0000
      2 C1            3.554039    0.728241   -0.384873 C.3      1 SUBUNIT    0.0000
      3 C2            3.659762    1.137627    1.092740 C.3      1 SUBUNIT    0.0000
      4 C3            2.523322    0.451219    1.882447 C.3      1 SUBUNIT    0.0000
      5 O4            1.239089    0.865150    1.363403 O.3      1 SUBUNIT    0.0000
      6 C5            1.077558    0.472519   -0.023628 C.3      1 SUBUNIT    0.0000
      7 C6            2.165379    1.142585   -0.895752 C.3      1 SUBUNIT    0.0000
      8 C7           -0.289250    0.868572   -0.565095 C.2      1 SUBUNIT    0.0000
      9 C8           -1.449667    0.620330    0.048712 C.2      1 SUBUNIT    0.0000
     10 C9           -1.528152   -0.117868    1.363577 C.3      1 SUBUNIT    0.0000
     11 C10          -2.725144    1.070870   -0.603114 C.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1    9   11 1
     2    9   10 1
     3    8    9 2
     4    6    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 1
    11    1    2 1
@<SCITEGIC>MOL_PROPERTY
Clean Energy
SciTegic.value.DoubleValue
3.296109

@<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