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

@<TRIPOS>MOLECULE
24473
   11    11     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1            2.751431    0.402418    3.216836 C.3      1 SUBUNIT    0.0000
      2 C1            2.001421    0.199090    1.888723 C.3      1 SUBUNIT    0.0000
      3 C2            2.417332   -1.105436    1.153778 C.3      1 SUBUNIT    0.0000
      4 C3            1.728316   -1.283563   -0.253507 C.3      1 SUBUNIT    0.0000
      5 C4            0.909468   -0.035557   -0.699099 C.3      1 SUBUNIT    0.0000
      6 C5            1.740937    1.263576   -0.500891 C.3      1 SUBUNIT    0.0000
      7 C6            2.130771    1.394806    0.968143 C.2      1 SUBUNIT    0.0000
      8 O7            2.547796    2.472676    1.405621 O.2      1 SUBUNIT    0.0000
      9 C8           -0.517560    0.039206   -0.120038 C.2      1 SUBUNIT    0.0000
     10 C9           -1.147059    1.211234   -0.032580 C.2      1 SUBUNIT    0.0000
     11 C10          -1.255795   -1.222761    0.247246 C.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1    9   11 1
     2    9   10 2
     3    5    9 1
     4    7    8 2
     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
21.125801

@<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