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asad/arom.sdf

Created March 1, 2011 20:03
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arom molecules for MCS calculation
Raw
arom.sdf
OpenBabel03011112432D
7 7 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 I 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
1 7 1 0 0 0
1 2 1 0 0 0
2 3 1 0 0 0
3 4 1 0 0 0
4 5 1 0 0 0
4 6 1 0 0 0
6 7 1 0 0 0
M END
$$$$
OpenBabel03011112432D
8 8 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 Cl 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 F 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
1 8 1 0 0 0
1 2 1 0 0 0
2 3 1 0 0 0
2 4 1 0 0 0
4 5 1 0 0 0
5 6 1 0 0 0
5 7 1 0 0 0
7 8 1 0 0 0
M END
$$$$
OpenBabel03011112432D
8 8 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 F 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 F 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
1 8 1 0 0 0
1 2 1 0 0 0
2 3 1 0 0 0
3 4 1 0 0 0
3 5 1 0 0 0
5 6 1 0 0 0
5 7 1 0 0 0
7 8 1 0 0 0
M END
$$$$
OpenBabel03011112432D
9 9 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 Br 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 I 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
1 9 1 0 0 0
1 2 1 0 0 0
2 3 1 0 0 0
3 4 1 0 0 0
3 5 1 0 0 0
5 6 1 0 0 0
5 7 1 0 0 0
7 8 1 0 0 0
7 9 1 0 0 0
M END
$$$$
OpenBabel03011112432D
8 8 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 I 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 F 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
1 8 1 0 0 0
1 2 1 0 0 0
2 3 1 0 0 0
3 4 1 0 0 0
4 5 1 0 0 0
4 6 1 0 0 0
6 7 1 0 0 0
6 8 1 0 0 0
M END
$$$$
OpenBabel03011112432D
10 10 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 Cl 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 F 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
0.0000 0.0000 0.0000 I 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
1 10 1 0 0 0
1 2 1 0 0 0
2 3 1 0 0 0
2 4 1 0 0 0
4 5 1 0 0 0
4 6 1 0 0 0
6 7 1 0 0 0
6 8 1 0 0 0
8 9 1 0 0 0
8 10 1 0 0 0
M END
$$$$
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