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

@<TRIPOS>MOLECULE
3782139
   11    11     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1           -3.212409   -1.471379    0.915081 C.3      1 SUBUNIT    0.0000
      2 C1           -3.314677   -0.381174   -0.182989 C.3      1 SUBUNIT    0.0000
      3 C2           -2.002913    0.466883   -0.403884 C.3      1 SUBUNIT    0.0000
      4 C3           -0.830170   -0.239411   -1.221344 C.3      1 SUBUNIT    0.0000
      5 C4            0.293134    0.793015   -1.478062 C.3      1 SUBUNIT    0.0000
      6 C5            0.997306    1.180503   -0.188263 C.2      1 SUBUNIT    0.0000
      7 C6            1.106195    0.317186    0.826499 C.2      1 SUBUNIT    0.0000
      8 C7            0.542120   -1.039244    0.723240 C.2      1 SUBUNIT    0.0000
      9 O8            0.755929   -1.860228    1.621765 O.2      1 SUBUNIT    0.0000
     10 C9           -0.196975   -1.468553   -0.521438 C.3      1 SUBUNIT    0.0000
     11 C10           1.633524    2.535322   -0.072918 C.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1    6   11 1
     2   10    4 1
     3    8   10 1
     4    8    9 2
     5    7    8 1
     6    6    7 2
     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
9.857872

@<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