#	Created by:	Discovery Studio
#	Creation time:	2017-09-03T17:49:07Z

@<TRIPOS>MOLECULE
5363233
   11    10     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1            2.951018   -2.086856   -0.744477 C.3      1 SUBUNIT    0.0000
      2 C1            3.096062   -2.035944    0.790254 C.3      1 SUBUNIT    0.0000
      3 C2            2.432370   -0.755212    1.335093 C.3      1 SUBUNIT    0.0000
      4 C3            0.929219   -0.759704    0.979909 C.3      1 SUBUNIT    0.0000
      5 C4            0.249263    0.524740    1.503673 C.3      1 SUBUNIT    0.0000
      6 C5            0.855844    1.782131    0.826867 C.3      1 SUBUNIT    0.0000
      7 C6            0.657156    1.725120   -0.677277 C.2      1 SUBUNIT    0.0000
      8 C7           -0.454891    2.110432   -1.321279 C.2      1 SUBUNIT    0.0000
      9 C8           -1.684596    2.674679   -0.694551 C.2      1 SUBUNIT    0.0000
     10 O9           -1.773037    2.863921    0.526631 O.2      1 SUBUNIT    0.0000
     11 C10          -2.850810    3.026001   -1.568439 C.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1    9   11 1
     2    9   10 2
     3    8    9 1
     4    7    8 2
     5    6    7 1
     6    5    6 1
     7    4    5 1
     8    3    4 1
     9    2    3 1
    10    1    2 1
@<SCITEGIC>MOL_PROPERTY
Clean Energy
SciTegic.value.DoubleValue
5.783344

@<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