#	Created by:	Discovery Studio
#	Creation time:	2017-09-03T17:49:05Z

@<TRIPOS>MOLECULE
4133
   11    11     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1           -1.352596    5.161753    0.066765 C.3      1 SUBUNIT    0.0000
      2 O1           -0.342757    4.152060    0.149185 O.3      1 SUBUNIT    0.0000
      3 C2           -0.926227    2.892531    0.038234 C.2      1 SUBUNIT    0.0000
      4 O3           -2.149386    2.787772   -0.107223 O.2      1 SUBUNIT    0.0000
      5 C4           -0.084935    1.696489    0.094703 C.2      1 SUBUNIT    0.0000
      6 C5            1.231506    1.824341    0.251772 C.2      1 SUBUNIT    0.0000
      7 C6            2.082659    0.634315    0.309591 C.2      1 SUBUNIT    0.0000
      8 C7            1.541229   -0.578097    0.205135 C.2      1 SUBUNIT    0.0000
      9 C8            0.093814   -0.721878    0.032328 C.2      1 SUBUNIT    0.0000
     10 C9           -0.682435    0.359173   -0.020549 C.2      1 SUBUNIT    0.0000
     11 O10          -2.056053    0.215419   -0.184795 O.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1   10   11 1
     2   10    5 1
     3    9   10 2
     4    8    9 1
     5    7    8 2
     6    6    7 1
     7    5    6 2
     8    3    5 1
     9    3    4 2
    10    2    3 1
    11    1    2 1
@<SCITEGIC>MOL_PROPERTY
Clean Energy
SciTegic.value.DoubleValue
-1.284096

@<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