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

@<TRIPOS>MOLECULE
67179
   11    10     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1            3.006026    1.614919    3.225427 C.3      1 SUBUNIT    0.0000
      2 C1            2.536173    2.323681    1.984089 C.2      1 SUBUNIT    0.0000
      3 C2            1.636972    1.756207    1.179768 C.2      1 SUBUNIT    0.0000
      4 C3            1.069475    0.390666    1.494837 C.3      1 SUBUNIT    0.0000
      5 C4            0.029485   -0.133171    0.438471 C.3      1 SUBUNIT    0.0000
      6 C5            0.633659   -0.640423   -0.930741 C.3      1 SUBUNIT    0.0000
      7 C6            1.338877    0.463343   -1.753352 C.3      1 SUBUNIT    0.0000
      8 C7           -0.476993   -1.181096   -1.794009 C.2      1 SUBUNIT    0.0000
      9 C8           -1.743057   -0.834691   -1.566617 C.2      1 SUBUNIT    0.0000
     10 O9            1.578311   -1.686296   -0.692012 O.3      1 SUBUNIT    0.0000
     11 C10           3.083260    3.679754    1.647446 C.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1    2   11 1
     2    6   10 1
     3    8    9 2
     4    6    8 1
     5    6    7 1
     6    5    6 1
     7    4    5 1
     8    3    4 1
     9    2    3 2
    10    1    2 1
@<SCITEGIC>MOL_PROPERTY
Clean Energy
SciTegic.value.DoubleValue
10.032340

@<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