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

@<TRIPOS>MOLECULE
5362620
   11    10     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1           -1.568006   -0.142743   -1.938975 C.3      1 SUBUNIT    0.0000
      2 C1           -2.878144    0.595615   -1.559786 C.3      1 SUBUNIT    0.0000
      3 C2           -2.961746    1.088000   -0.060950 C.3      1 SUBUNIT    0.0000
      4 C3           -2.050252    2.321807    0.305017 C.3      1 SUBUNIT    0.0000
      5 C4           -0.544418    1.987312    0.428642 C.3      1 SUBUNIT    0.0000
      6 C5           -0.336642    0.999969    1.545487 C.2      1 SUBUNIT    0.0000
      7 C6            0.815252    0.332010    1.650275 C.2      1 SUBUNIT    0.0000
      8 C7            1.907294    0.542025    0.640744 C.3      1 SUBUNIT    0.0000
      9 C8            3.081026   -0.402904    0.946597 C.3      1 SUBUNIT    0.0000
     10 C9            4.150875   -0.211684   -0.087910 C.2      1 SUBUNIT    0.0000
     11 O10           3.979672    0.592039   -1.011348 O.2      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1   10   11 2
     2    9   10 1
     3    8    9 1
     4    7    8 1
     5    6    7 2
     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
4.271692

@<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