-CH2-.mlm - MolMeccano [email protected]_line-CH2...

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# MolMeccano format (*.mlm). @Comment_line -CH2- Methylene @Alias CH2 #@Force_field AMBER94 @Table Atoms 11 str str double double double double str str str str double double double str ID Element X Y Z Q Type Mol Res Flag R* Epsilon Mass Comment 0 C 2.73946 2.55433 -0.01242 -0.3900 CH3_propane 0 0 - - - - 1 H 2.73601 3.64435 -0.01241 0.1300 H3C- 0 0 - - - - 2 H 2.19025 2.21704 -0.89300 0.1300 H3C- 0 0 - - - - 3 H 2.19022 2.21703 0.86814 0.1300 H3C- 0 0 - - - - 4 C 4.15544 1.99315 -0.01241 -0.2600 -CH2- 0 1 - - - - 5 H 4.69578 2.36220 -0.88708 0.1300 H2C- 0 1 - - - - 6 H 4.69577 2.36220 0.86227 0.1300 H2C- 0 1 - - - - 7 C 4.16305 0.47004 -0.01241 -0.3900 CH3_propane
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