Mercurial > repos > bgruening > eden_toolbox

view test-data/3_molecules.gspan @ 9:5be8af51780d draft

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author bgruening
date Thu, 15 May 2014 12:11:27 -0400
parents 99091a5d5c84
children
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t # id 1
v 0 O 
v 1 O 
v 2 O 
v 3 O 
v 4 C 
v 5 C 
v 6 C 
v 7 C 
v 8 C 
v 9 C 
v 10 C 
v 11 C 
v 12 C 
v 13 H 
v 14 H 
v 15 H 
v 16 H 
v 17 H 
v 18 H 
v 19 H 
v 20 H 
e 0 4 1
e 0 11 1
e 1 10 1
e 1 20 1
e 2 10 2
e 3 11 2
e 4 5 1
e 4 6 2
e 5 7 2
e 5 10 1
e 6 8 1
e 6 13 1
e 7 9 1
e 7 14 1
e 8 9 2
e 8 15 1
e 9 16 1
e 11 12 1
e 12 17 1
e 12 18 1
e 12 19 1
t # id 2
v 0 O 
v 1 O 
v 2 O 
v 3 O 
v 4 C 
v 5 C 
v 6 C 
v 7 C 
v 8 C 
v 9 C 
v 10 C 
v 11 C 
v 12 C 
v 13 H 
v 14 H 
v 15 H 
v 16 H 
v 17 H 
v 18 H 
v 19 H 
v 20 H 
e 0 4 1
e 0 11 1
e 1 10 1
e 1 20 1
e 2 10 2
e 3 11 2
e 4 5 1
e 4 6 2
e 5 7 2
e 5 10 1
e 6 8 1
e 6 13 1
e 7 9 1
e 7 14 1
e 8 9 2
e 8 15 1
e 9 16 1
e 11 12 1
e 12 17 1
e 12 18 1
e 12 19 1
t # id 3
v 0 O 
v 1 O 
v 2 O 
v 3 O 
v 4 C 
v 5 C 
v 6 C 
v 7 C 
v 8 C 
v 9 C 
v 10 C 
v 11 C 
v 12 C 
v 13 H 
v 14 H 
v 15 H 
v 16 H 
v 17 H 
v 18 H 
v 19 H 
v 20 H 
e 0 4 1
e 0 11 1
e 1 10 1
e 1 20 1
e 2 10 2
e 3 11 2
e 4 5 1
e 4 6 2
e 5 7 2
e 5 10 1
e 6 8 1
e 6 13 1
e 7 9 1
e 7 14 1
e 8 9 2
e 8 15 1
e 9 16 1
e 11 12 1
e 12 17 1
e 12 18 1
e 12 19 1