#	Created by:	Discovery Studio
#	Creation time:	2017-09-03T17:49:14Z

@<TRIPOS>MOLECULE
443157
   11    10     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1            2.026396    2.975169    0.209923 C.3      1 SUBUNIT    0.0000
      2 C1            0.570319    2.472062    0.249680 C.3      1 SUBUNIT    0.0000
      3 C2            0.383025    1.542179    1.515627 C.3      1 SUBUNIT    0.0000
      4 C3            1.352688    0.306823    1.600175 C.3      1 SUBUNIT    0.0000
      5 C4            1.032439   -0.794485    0.616264 C.2      1 SUBUNIT    0.0000
      6 C5            1.791777   -1.887373    0.544981 C.2      1 SUBUNIT    0.0000
      7 C6            2.987638   -2.046829    1.444335 C.3      1 SUBUNIT    0.0000
      8 C7            1.451600   -2.965548   -0.441497 C.3      1 SUBUNIT    0.0000
      9 C8            0.198693    1.829583   -1.119640 C.3      1 SUBUNIT    0.0000
     10 C9           -1.258806    1.430235   -1.171915 C.2      1 SUBUNIT    0.0000
     11 O10          -2.042136    1.759440   -0.273659 O.2      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1   10   11 2
     2    9   10 1
     3    2    9 1
     4    6    8 1
     5    6    7 1
     6    5    6 2
     7    4    5 1
     8    3    4 1
     9    2    3 1
    10    1    2 1
@<SCITEGIC>MOL_PROPERTY
Clean Energy
SciTegic.value.DoubleValue
3.549900

@<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