#	Created by:	Discovery Studio
#	Creation time:	2017-09-03T17:49:04Z

@<TRIPOS>MOLECULE
520440
   11    11     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1            4.329119   -0.004427    4.018861 C.3      1 SUBUNIT    0.0000
      2 C1            3.377929   -0.005069    2.857809 C.2      1 SUBUNIT    0.0000
      3 C2            2.427304    0.934387    2.801073 C.2      1 SUBUNIT    0.0000
      4 C3            1.411763    0.996366    1.688886 C.3      1 SUBUNIT    0.0000
      5 C4            1.283355   -0.362577    0.977115 C.3      1 SUBUNIT    0.0000
      6 C5            2.673713   -0.790815    0.537363 C.3      1 SUBUNIT    0.0000
      7 C6            3.512222   -1.086783    1.799610 C.3      1 SUBUNIT    0.0000
      8 C7            0.345469   -0.209156   -0.240100 C.3      1 SUBUNIT    0.0000
      9 C8            0.888762    0.813919   -1.259907 C.3      1 SUBUNIT    0.0000
     10 C9           -1.027754    0.197348    0.209558 C.2      1 SUBUNIT    0.0000
     11 O10          -1.751684    0.861582   -0.540371 O.2      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1   10   11 2
     2    8   10 1
     3    8    9 1
     4    5    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 2
    11    1    2 1
@<SCITEGIC>MOL_PROPERTY
Clean Energy
SciTegic.value.DoubleValue
3.922968

@<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