#	Created by:	Discovery Studio
#	Creation time:	2017-09-03T17:49:13Z

@<TRIPOS>MOLECULE
8878
   12    11     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1            0.121708    2.847292   -2.750853 C.3      1 SUBUNIT    0.0000
      2 C1           -1.377979    2.724872   -2.395364 C.3      1 SUBUNIT    0.0000
      3 C2           -1.681521    2.559616   -0.858803 C.3      1 SUBUNIT    0.0000
      4 C3           -1.343914    3.825003    0.013744 C.3      1 SUBUNIT    0.0000
      5 C4            0.162679    4.061180    0.426850 C.3      1 SUBUNIT    0.0000
      6 C5            0.671465    3.103200    1.561641 C.3      1 SUBUNIT    0.0000
      7 C6            0.959162    1.683724    1.127082 C.2      1 SUBUNIT    0.0000
      8 O7            0.968814    1.385071   -0.071681 O.2      1 SUBUNIT    0.0000
      9 O8            1.268935    0.722994    2.101065 O.3      1 SUBUNIT    0.0000
     10 C9            1.514270   -0.567850    1.516918 C.3      1 SUBUNIT    0.0000
     11 C10           0.231475   -1.159474    0.989493 C.2      1 SUBUNIT    0.0000
     12 C11           0.239961   -2.358897    0.412480 C.2      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1   11   12 2
     2   10   11 1
     3    9   10 1
     4    7    9 1
     5    7    8 2
     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
8.853964

@<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
12 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
12 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
12 1.00