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

@<TRIPOS>MOLECULE
2537
   11    12     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1            0.916314    2.332560   -0.082500 C.3      1 SUBUNIT    0.0000
      2 C1            1.283863    0.988030    0.587516 C.3      1 SUBUNIT    0.0000
      3 C2            0.156997    0.481906    1.537882 C.3      1 SUBUNIT    0.0000
      4 C3            0.694339   -0.941276    1.887980 C.3      1 SUBUNIT    0.0000
      5 C4            1.451173   -1.376610    0.594931 C.3      1 SUBUNIT    0.0000
      6 C5            1.156463   -0.216377   -0.370777 C.3      1 SUBUNIT    0.0000
      7 C6           -0.286621   -0.195091   -0.637347 C.2      1 SUBUNIT    0.0000
      8 O7           -0.796883   -0.465935   -1.729755 O.2      1 SUBUNIT    0.0000
      9 C8           -1.033574    0.351194    0.517156 C.3      1 SUBUNIT    0.0000
     10 C9            2.036893   -0.249297   -1.632962 C.3      1 SUBUNIT    0.0000
     11 C10           2.681512    1.097816    1.242260 C.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1    2   11 1
     2    6   10 1
     3    9    3 1
     4    7    9 1
     5    7    8 2
     6    6    7 1
     7    6    2 1
     8    5    6 1
     9    4    5 1
    10    3    4 1
    11    2    3 1
    12    1    2 1
@<SCITEGIC>MOL_PROPERTY
Clean Energy
SciTegic.value.DoubleValue
46.363178

@<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