#	Created by:	Discovery Studio
#	Creation time:	2017-09-03T17:49:12Z

@<TRIPOS>MOLECULE
637566
   11    10     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1           -1.250865    0.648211   -3.456908 C.3      1 SUBUNIT    0.0000
      2 C1           -0.277721    1.200308   -2.457035 C.2      1 SUBUNIT    0.0000
      3 C2            0.124201    0.441617   -1.437808 C.2      1 SUBUNIT    0.0000
      4 C3            1.098594    0.973994   -0.422203 C.3      1 SUBUNIT    0.0000
      5 C4            1.368876   -0.067520    0.709283 C.3      1 SUBUNIT    0.0000
      6 C5            0.113726   -0.417850    1.509089 C.2      1 SUBUNIT    0.0000
      7 C6           -0.297586    0.312809    2.555685 C.2      1 SUBUNIT    0.0000
      8 C7            0.399574    1.570329    3.034970 C.3      1 SUBUNIT    0.0000
      9 O8            0.211566    2.635686    2.097998 O.3      1 SUBUNIT    0.0000
     10 C9           -0.646177   -1.677145    1.177943 C.3      1 SUBUNIT    0.0000
     11 C10           0.235129    2.606875   -2.610895 C.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1    2   11 1
     2    6   10 1
     3    8    9 1
     4    7    8 1
     5    6    7 2
     6    5    6 1
     7    4    5 1
     8    3    4 1
     9    2    3 2
    10    1    2 1
@<SCITEGIC>MOL_PROPERTY
Clean Energy
SciTegic.value.DoubleValue
13.490947

@<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