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toluene.mol
15 15 0 0 0 1 V2000
-1.5781 -1.1143 0.1060 C 0 0 0 0 0
-0.4158 -1.8882 0.0700 C 0 0 0 0 0
0.8342 -1.2684 0.0057 C 0 0 0 0 0
0.9144 0.1257 -0.0215 C 0 0 0 0 0
-0.2442 0.8970 0.0113 C 0 0 0 0 0
-1.4903 0.2793 0.0753 C 0 0 0 0 0
-0.1872 2.3923 -0.0336 C 0 0 0 0 0
-2.5638 -1.6031 0.1681 H 0 0 0 0 0
-0.4856 -2.9880 0.0827 H 0 0 0 0 0
1.7524 -1.8766 -0.0329 H 0 0 0 0 0
1.8990 0.6172 -0.0787 H 0 0 0 0 0
-2.4077 0.8897 0.0923 H 0 0 0 0 0
-0.5760 2.7589 -1.0100 H 0 0 0 0 0
0.8638 2.7371 0.0904 H 0 0 0 0 0
-0.8049 2.8217 0.7867 H 0 0 0 0 0
1 2 2 0 0 0
1 6 1 0 0 0
1 8 1 0 0 0
2 3 1 0 0 0
2 9 1 0 0 0
3 4 2 0 0 0
3 10 1 0 0 0
4 5 1 0 0 0
4 11 1 0 0 0
5 6 2 0 0 0
5 7 1 0 0 0
6 12 1 0 0 0
7 13 1 6 0 0
7 14 1 0 0 0
7 15 1 1 0 0
M END
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