33 lines
784 B
Text
33 lines
784 B
Text
penicillin.chem:
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.cstart
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# Example file for chem:
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# benzylpenicillin or C16_H18_N2_O4_S or
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# (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-
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# 1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS-RN: 61-33-6)
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#
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# Found at https://en.wikipedia.org/wiki/Benzylpenicillin
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#
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# Prepared by Bernd Warken <groff-bernd.warken-72@web.de>,
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# partial rewrite by Norwid Behrnd <nbehrnd@yahoo.com>.
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R1: ring4 pointing 45 put N at 2
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R2: ring5 pointing right with .V3 at R1.V2 put N at 3 put S at 5
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doublebond -130 at R1.V3 ; O
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frontbond -60 at R1.V4 ; N
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B1: bond -120
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doublebond down ; O
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bond -60 at B1.end
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bond -120
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ring6 double 1,2 3,4 5,6
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H above N
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bond 60 at R2.V1
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bond 120 at R2.V1
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backbond 160 at R2.V2 ; CO2H
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# Local Variables:
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# mode: Nroff
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# End:
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.cend
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