#	Created by:	Discovery Studio
#	Creation time:	2017-09-03T17:49:13Z

@<TRIPOS>MOLECULE
5354834
   11    10     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1            0.581272   -2.622831   -3.285843 C.3      1 SUBUNIT    0.0000
      2 C1            1.164886   -1.570457   -2.326427 C.3      1 SUBUNIT    0.0000
      3 C2            0.428867   -1.642678   -0.977535 C.3      1 SUBUNIT    0.0000
      4 C3            1.004767   -0.580541   -0.028575 C.3      1 SUBUNIT    0.0000
      5 C4            0.251265   -0.628301    1.319932 C.3      1 SUBUNIT    0.0000
      6 C5            0.718502    0.452483    2.361934 C.3      1 SUBUNIT    0.0000
      7 C6            0.346114    1.927390    1.975351 C.3      1 SUBUNIT    0.0000
      8 C7            1.221515    2.510254    0.884080 C.2      1 SUBUNIT    0.0000
      9 C8            0.943412    3.644100    0.219655 C.2      1 SUBUNIT    0.0000
     10 C9           -0.268403    4.485297    0.421636 C.2      1 SUBUNIT    0.0000
     11 O10          -1.183855    4.182789    1.194615 O.2      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1   10   11 2
     2    9   10 1
     3    8    9 2
     4    7    8 1
     5    6    7 1
     6    5    6 1
     7    4    5 1
     8    3    4 1
     9    2    3 1
    10    1    2 1
@<SCITEGIC>MOL_PROPERTY
Clean Energy
SciTegic.value.DoubleValue
5.680253

@<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