#	Created by:	Discovery Studio
#	Creation time:	2017-09-03T17:49:15Z

@<TRIPOS>MOLECULE
62367
   11    12     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1            1.475691   -1.562400    0.468481 C.3      1 SUBUNIT    0.0000
      2 C1            2.164769   -0.180539    0.482697 C.3      1 SUBUNIT    0.0000
      3 C2            2.170441    0.372023    1.919795 C.3      1 SUBUNIT    0.0000
      4 C3            1.449478    0.831055   -0.457494 C.3      1 SUBUNIT    0.0000
      5 C4           -0.050811    1.168306   -0.241173 C.3      1 SUBUNIT    0.0000
      6 C5           -0.661214    0.544350   -1.484044 C.3      1 SUBUNIT    0.0000
      7 C6            0.288945    1.063552   -2.564009 C.3      1 SUBUNIT    0.0000
      8 C7            1.712367    0.736001   -2.002517 C.3      1 SUBUNIT    0.0000
      9 C8            2.232271    1.920161   -1.027818 C.3      1 SUBUNIT    0.0000
     10 C9            0.128981    2.595447   -2.727377 C.3      1 SUBUNIT    0.0000
     11 O10           0.038772    0.418632   -3.814495 O.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1    7   11 1
     2    7   10 1
     3    9    4 1
     4    8    9 1
     5    8    4 1
     6    7    8 1
     7    6    7 1
     8    5    6 1
     9    4    5 1
    10    2    4 1
    11    2    3 1
    12    1    2 1
@<SCITEGIC>MOL_PROPERTY
Clean Energy
SciTegic.value.DoubleValue
75.650703

@<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