#	Created by:	Discovery Studio
#	Creation time:	2017-09-03T17:49:00Z

@<TRIPOS>MOLECULE
61294
   18    17     0 0 0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1            2.288215    4.135039   -2.797329 C.3      1 SUBUNIT    0.0000
      2 C1            3.255908    3.005078   -3.228093 C.3      1 SUBUNIT    0.0000
      3 C2            3.580005    1.941282   -2.108549 C.3      1 SUBUNIT    0.0000
      4 C3            2.398524    0.963678   -1.740403 C.3      1 SUBUNIT    0.0000
      5 C4            1.287064    1.587808   -0.847613 C.3      1 SUBUNIT    0.0000
      6 C5            1.853484    1.975177    0.546593 C.3      1 SUBUNIT    0.0000
      7 C6            2.343593    0.743996    1.383343 C.3      1 SUBUNIT    0.0000
      8 C7            1.174672   -0.203844    1.783074 C.3      1 SUBUNIT    0.0000
      9 O8            0.641183   -0.878531    0.641466 O.3      1 SUBUNIT    0.0000
     10 C9           -0.520769   -1.550315    0.989626 C.2      1 SUBUNIT    0.0000
     11 O10          -0.944510   -1.491214    2.148657 O.2      1 SUBUNIT    0.0000
     12 C11          -1.275054   -2.319874   -0.069471 C.3      1 SUBUNIT    0.0000
     13 C12          -2.723955   -2.609289    0.389325 C.3      1 SUBUNIT    0.0000
     14 C13          -3.490894   -1.271750    0.537338 C.3      1 SUBUNIT    0.0000
     15 C14          -3.542860   -0.543303   -0.825917 C.3      1 SUBUNIT    0.0000
     16 C15          -4.189880    0.843543   -0.652636 C.3      1 SUBUNIT    0.0000
     17 C16          -3.327780    1.693146    0.305273 C.3      1 SUBUNIT    0.0000
     18 C17          -3.962297    3.084829    0.475263 C.3      1 SUBUNIT    0.0000
@<TRIPOS>BOND
     1   17   18 1
     2   16   17 1
     3   15   16 1
     4   14   15 1
     5   13   14 1
     6   12   13 1
     7   10   12 1
     8   10   11 2
     9    9   10 1
    10    8    9 1
    11    7    8 1
    12    6    7 1
    13    5    6 1
    14    4    5 1
    15    3    4 1
    16    2    3 1
    17    1    2 1
@<SCITEGIC>MOL_PROPERTY
Clean Energy
SciTegic.value.DoubleValue
5.462843

@<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
12 0
13 0
14 0
15 0
16 0
17 0
18 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
12 0.00
13 0.00
14 0.00
15 0.00
16 0.00
17 0.00
18 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
12 1.00
13 1.00
14 1.00
15 1.00
16 1.00
17 1.00
18 1.00