/usr/share/doc/chemtool/examples/v3000.mol is in chemtool 1.6.14-2.
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 | L-Alanine
GSMACCS-II07129516502D 1 0.00366 0.00000 0
Figure 1, J. Chem. Inf. Comput. Sci., Vol 32, No. 3., 1992
0 0 0 0 0 999V3000
M V30 BEGIN CTAB
M V30 COUNTS 6 5 0 0 1
M V30 BEGIN ATOM
M V30 1 C -0.6622 0.5342 0 0 CFG=2
M V30 2 C 0.6622 -0.3 0 0
M V30 3 C -0.7207 2.0817 0 0 MASS=13
M V30 4 N -1.8622 -0.3695 0 0 CHG=1
M V30 5 O 0.622 -1.8037 0 0
M V30 6 O 1.9464 0.4244 0 0 CHG=-1
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 1 3 CFG=1
M V30 3 1 1 4
M V30 4 2 2 5
M V30 5 1 2 6
M V30 END BOND
M V30 END CTAB
M END
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