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CYCLOPEN.D
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1980-01-01
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2KB
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47 lines
chemical_name("Cyclopentane")
chemical(a(15,"H",o("1s",1,"σ",5)))
chemical(a(5,"C",o("sp3_5'",1,"σ",15)))
chemical(a(14,"H",o("1s",1,"σ",4)))
chemical(a(4,"C",o("sp3_5'",1,"σ",14)))
chemical(a(13,"H",o("1s",1,"σ",3)))
chemical(a(3,"C",o("sp3_5'",1,"σ",13)))
chemical(a(12,"H",o("1s",1,"σ",2)))
chemical(a(2,"C",o("sp3_5'",1,"σ",12)))
chemical(a(11,"H",o("1s",1,"σ",1)))
chemical(a(1,"C",o("sp3_5'",1,"σ",11)))
chemical(a(10,"H",o("1s",1,"σ",5)))
chemical(a(5,"C",o("sp3_5`",1,"σ",10)))
chemical(a(9,"H",o("1s",1,"σ",4)))
chemical(a(4,"C",o("sp3_5`",1,"σ",9)))
chemical(a(8,"H",o("1s",1,"σ",3)))
chemical(a(3,"C",o("sp3_5`",1,"σ",8)))
chemical(a(7,"H",o("1s",1,"σ",2)))
chemical(a(2,"C",o("sp3_5`",1,"σ",7)))
chemical(a(6,"H",o("1s",1,"σ",1)))
chemical(a(1,"C",o("sp3_5`",1,"σ",6)))
chemical(a(1,"C",o("sp3_5~",1,"σ",5)))
chemical(a(5,"C",o("sp3_5^",1,"σ",1)))
chemical(a(5,"C",o("sp3_5~",1,"σ",4)))
chemical(a(4,"C",o("sp3_5^",1,"σ",5)))
chemical(a(4,"C",o("sp3_5~",1,"σ",3)))
chemical(a(3,"C",o("sp3_5^",1,"σ",4)))
chemical(a(3,"C",o("sp3_5~",1,"σ",2)))
chemical(a(2,"C",o("sp3_5^",1,"σ",3)))
chemical(a(2,"C",o("sp3_5~",1,"σ",1)))
chemical(a(1,"C",o("sp3_5^",1,"σ",2)))
atomlocation(1,l(12600,12600,12600,0.7,0,0,0,4),1)
atomlocation(2,l(12038,12600,14331,0.7,0,-1.8849999964,0,4),1)
atomlocation(3,l(13510,12600,15401,0.7,0,-0.62840468923,0,4),1)
atomlocation(4,l(14983,12600,14331,0.7,0,-5.6549946921,0,4),1)
atomlocation(5,l(14421,12600,12600,0.7,0,-4.3983993813,0,4),1)
atomlocation(6,l(12013,13583,11799,0.375,0.88675127833,-4.0799999964,6.0643656814,1),1)
atomlocation(7,l(11094,11617,14642,0.375,1.2645042849,-2.8234046856,0.50144797626,1),1)
atomlocation(8,l(13514,11617,16394,0.375,0.78000219471,-1.5668093821,6.2815446987,1),1)
atomlocation(9,l(15929,11617,14634,0.375,1.2714884275,-0.31021407769,5.7759712555,1),1)
atomlocation(10,l(15002,11617,11794,0.375,5.3992717899,-5.3368040769,6.066755082,1),1)
atomlocation(11,l(12013,11617,11799,0.375,5.3964322527,-4.0799999964,0.21881784958,1),1)
atomlocation(12,l(11094,13583,14642,0.375,5.0186774671,-2.8234046856,5.781735555,1),1)
atomlocation(13,l(13514,13583,16394,0.375,5.5031795573,-1.5668093821,0.0016388322664,1),1)
atomlocation(14,l(15929,13583,14634,0.375,5.0116933245,-0.31021407769,0.50721227529,1),1)
atomlocation(15,l(15002,13583,11794,0.375,0.88391174112,-5.3368040769,0.21642844899,1),1)