#	Created by:	Discovery Studio
#	Creation time:	2017-09-03T17:49:01Z

@<TRIPOS>MOLECULE
170833
   11    11     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1            4.816680    0.236051    0.956614 C.3      1 SUBUNIT    0.0000
      2 C1            3.333859    0.154236    0.549121 C.3      1 SUBUNIT    0.0000
      3 C2            2.580792   -0.775490    1.572950 C.3      1 SUBUNIT    0.0000
      4 C3            1.034176   -0.783286    1.328526 C.3      1 SUBUNIT    0.0000
      5 C4            0.762527   -0.040713    0.025378 C.3      1 SUBUNIT    0.0000
      6 C5            1.230452    1.443909    0.071167 C.3      1 SUBUNIT    0.0000
      7 C6            2.678562    1.534656    0.628911 C.3      1 SUBUNIT    0.0000
      8 O7            0.398502    2.245823    0.915389 O.3      1 SUBUNIT    0.0000
      9 C8           -0.669559   -0.164241   -0.444282 C.2      1 SUBUNIT    0.0000
     10 C9           -1.186466    0.742559   -1.272156 C.2      1 SUBUNIT    0.0000
     11 C10          -1.506006   -1.335477   -0.011012 C.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1    9   11 1
     2    9   10 2
     3    5    9 1
     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
22.639942

@<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