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

@<TRIPOS>MOLECULE
522514
   11    11     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1            3.744050    0.129085    0.996705 C.3      1 SUBUNIT    0.0000
      2 C1            2.798970    1.101881    0.225605 C.3      1 SUBUNIT    0.0000
      3 C2            3.014221    0.946372   -1.297371 C.3      1 SUBUNIT    0.0000
      4 C3            2.469370   -0.427571   -1.755813 C.3      1 SUBUNIT    0.0000
      5 C4            0.940817   -0.403558   -1.511220 C.3      1 SUBUNIT    0.0000
      6 C5            0.663081   -0.298186    0.007390 C.3      1 SUBUNIT    0.0000
      7 O6            1.339059    0.940244    0.510961 O.3      1 SUBUNIT    0.0000
      8 C7            1.061691   -1.641873    0.694048 C.3      1 SUBUNIT    0.0000
      9 C8           -0.815443   -0.144342    0.200203 C.2      1 SUBUNIT    0.0000
     10 C9           -1.361687    1.069429    0.198359 C.2      1 SUBUNIT    0.0000
     11 C10           3.218704    2.523648    0.639156 C.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1    2   11 1
     2    9   10 2
     3    6    9 1
     4    6    8 1
     5    7    2 1
     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
14.923915

@<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