#	Created by:	Discovery Studio
#	Creation time:	2017-09-03T17:49:11Z

@<TRIPOS>MOLECULE
14896
   10    11     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1            0.001883   -2.906355   -1.218235 C.3      1 SUBUNIT    0.0000
      2 C1            0.385174   -1.514876   -0.665562 C.3      1 SUBUNIT    0.0000
      3 C2            0.169869   -0.450629   -1.737991 C.3      1 SUBUNIT    0.0000
      4 C3            0.806595    0.923997   -1.323885 C.3      1 SUBUNIT    0.0000
      5 C4            0.226993    1.470757    0.030924 C.3      1 SUBUNIT    0.0000
      6 C5           -0.329349    0.328758    0.857188 C.2      1 SUBUNIT    0.0000
      7 C6           -0.606415    0.511603    2.146935 C.2      1 SUBUNIT    0.0000
      8 C7           -0.779799   -0.939560    0.161319 C.3      1 SUBUNIT    0.0000
      9 C8           -1.291029   -0.395103   -1.240433 C.3      1 SUBUNIT    0.0000
     10 C9            1.789550   -1.600508   -0.001456 C.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1    2   10 1
     2    9    3 1
     3    8    9 1
     4    8    2 1
     5    6    8 1
     6    6    7 2
     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
36.704784

@<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

@<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

@<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