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

@<TRIPOS>MOLECULE
10362
   11    11     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1           -2.554297    0.942223    0.053063 C.3      1 SUBUNIT    0.0000
      2 C1           -1.122423    0.989088   -0.508791 C.3      1 SUBUNIT    0.0000
      3 C2           -0.332532    2.228733   -0.059848 C.3      1 SUBUNIT    0.0000
      4 C3            1.111620    2.183177   -0.628436 C.3      1 SUBUNIT    0.0000
      5 C4            1.844848    0.952367   -0.025436 C.3      1 SUBUNIT    0.0000
      6 C5            1.126037   -0.352160   -0.476926 C.3      1 SUBUNIT    0.0000
      7 C6           -0.373864   -0.300604   -0.273498 C.2      1 SUBUNIT    0.0000
      8 O7           -1.009022   -1.352015   -0.136991 O.2      1 SUBUNIT    0.0000
      9 C8            1.886657    1.058319    1.533902 C.3      1 SUBUNIT    0.0000
     10 C9            2.614944   -0.171148    2.115072 C.3      1 SUBUNIT    0.0000
     11 C10           2.654809    2.333564    1.961450 C.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1    9   11 1
     2    9   10 1
     3    5    9 1
     4    7    8 2
     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
8.489683

@<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