#	Created by:	Discovery Studio
#	Creation time:	2017-09-03T17:49:07Z

@<TRIPOS>MOLECULE
61362
   11    11     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1           -1.989633   -2.491334    3.712609 C.3      1 SUBUNIT    0.0000
      2 C1           -1.499055   -2.074386    2.357236 C.2      1 SUBUNIT    0.0000
      3 C2           -0.497939   -1.195105    2.267717 C.2      1 SUBUNIT    0.0000
      4 C3           -0.011032   -0.708463    0.971132 C.2      1 SUBUNIT    0.0000
      5 O4            0.923131    0.101106    0.951723 O.2      1 SUBUNIT    0.0000
      6 C5           -0.698772   -1.168283   -0.308293 C.3      1 SUBUNIT    0.0000
      7 C6           -1.215929   -2.590927   -0.091443 C.3      1 SUBUNIT    0.0000
      8 C7           -2.164074   -2.641197    1.123368 C.3      1 SUBUNIT    0.0000
      9 C8            0.192740   -1.068494   -1.588080 C.3      1 SUBUNIT    0.0000
     10 C9            1.440573   -1.966094   -1.448810 C.3      1 SUBUNIT    0.0000
     11 C10           0.615097    0.385117   -1.902911 C.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1    9   11 1
     2    9   10 1
     3    6    9 1
     4    8    2 1
     5    7    8 1
     6    6    7 1
     7    4    6 1
     8    4    5 2
     9    3    4 1
    10    2    3 2
    11    1    2 1
@<SCITEGIC>MOL_PROPERTY
Clean Energy
SciTegic.value.DoubleValue
6.159372

@<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