/usr/share/doc/ghemical/examples/bromobenzene.gpr is in ghemical 3.0.0-1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 | !Header gpr 100
!Info 1
!Atoms 12
0 6
1 6
2 6
3 6
4 6
5 6
6 35
7 1
8 1
9 1
10 1
11 1
!Bonds 12
0 1 C
1 2 C
2 3 C
3 4 C
4 5 C
0 5 C
2 6 S
0 7 S
1 8 S
3 9 S
4 10 S
5 11 S
!Coord
0 0.0495595 0.133991 0.00206212
1 0.133939 0.023603 -0.0112446
2 0.080549 -0.105344 -0.012701
3 -0.0572776 -0.123864 -0.000843498
4 -0.141693 -0.0135042 0.0124652
5 -0.0882687 0.115435 0.013918
6 0.192456 -0.251695 -0.0303464
7 0.0910884 0.234174 0.00318913
8 0.241017 0.037985 -0.0204571
9 -0.0987461 -0.224037 -0.00197561
10 -0.248778 -0.0279395 0.0216756
11 -0.153846 0.201196 0.0242581
!Charges
0 -0.1
1 -0.1
2 0
3 -0.1
4 -0.1
5 -0.1
6 0
7 0.1
8 0.1
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10 0.1
11 0.1
!End
|