/usr/share/doc/openbabel/examples/dioxin.mol2 is in openbabel 2.3.2+dfsg-3build1.
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 | @<TRIPOS>MOLECULE
dioxin
22 24 0 0 0
SMALL
GASTEIGER
Energy = 0
@<TRIPOS>ATOM
1 C1 -1.8614 3.1206 0.2896 C.ar 1 <1> 0.0630
2 C2 -2.8297 2.2803 -0.2820 C.ar 1 <1> 0.0630
3 C3 -2.5291 0.9443 -0.5726 C.ar 1 <1> 0.0041
4 C4 -1.2509 0.4622 -0.2845 C.ar 1 <1> 0.1721
5 C5 -0.2823 1.3027 0.2875 C.ar 1 <1> 0.1721
6 C6 -0.5805 2.6354 0.5781 C.ar 1 <1> 0.0041
7 O1 1.0070 0.8738 0.5955 O.2 1 <1> -0.4486
8 C7 1.2508 -0.4623 0.2850 C.ar 1 <1> 0.1721
9 C8 0.2824 -1.3026 -0.2874 C.ar 1 <1> 0.1721
10 O2 -1.0073 -0.8741 -0.5944 O.2 1 <1> -0.4486
11 C9 0.5806 -2.6351 -0.5786 C.ar 1 <1> 0.0041
12 C10 1.8616 -3.1204 -0.2904 C.ar 1 <1> 0.0630
13 C11 2.8299 -2.2802 0.2818 C.ar 1 <1> 0.0630
14 C12 2.5290 -0.9445 0.5730 C.ar 1 <1> 0.0041
15 Cl1 -2.2109 4.7396 0.6469 Cl 1 <1> -0.0819
16 Cl2 -4.3845 2.8531 -0.6361 Cl 1 <1> -0.0819
17 Cl3 2.2111 -4.7393 -0.6480 Cl 1 <1> -0.0819
18 Cl4 4.3844 -2.8534 0.6362 Cl 1 <1> -0.0819
19 H1 -3.2789 0.2742 -1.0208 H 1 <1> 0.0671
20 H2 0.1885 3.2833 1.0267 H 1 <1> 0.0671
21 H3 -0.1883 -3.2829 -1.0274 H 1 <1> 0.0671
22 H4 3.2787 -0.2745 1.0219 H 1 <1> 0.0671
@<TRIPOS>BOND
1 1 2 2
2 1 6 1
3 1 15 1
4 2 3 1
5 2 16 1
6 3 4 2
7 3 19 1
8 4 5 1
9 4 10 1
10 5 6 2
11 5 7 1
12 6 20 1
13 7 8 1
14 8 9 2
15 8 14 1
16 9 10 1
17 9 11 1
18 11 12 2
19 11 21 1
20 12 13 1
21 12 17 1
22 13 14 2
23 13 18 1
24 14 22 1
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