updated Input_G1
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0656d97177
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0,1
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C
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S,1,CS
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H,2,SH,1,CSH
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H,1,CHA,2,HACS,3,180.,0
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X,1,1.,2,XCS,3,0.,0
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H,1,CHB,5,HALF,2,90.,0
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H,1,CHB,5,HALF,2,-90.,0
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CS=1.82939003
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SH=1.34584251
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CHA=1.09139903
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CHB=1.09069821
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CSH=97.1035912
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HACS=106.02325623
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XCS=129.48465195
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HALF=55.21415843
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0,1
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C
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O,1,AB
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H,1,AH3,2,H3AB
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H,2,BH9,1,H9BA,3,180.,0
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X,1,1.,2,BAH12,3,180.,0
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H,1,AH1,5,H1AH2,2,90.,0
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H,1,AH1,5,H1AH2,2,-90.,0
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AB=1.41526798
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AH1=1.10037418
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AH3=1.09348232
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BH9=0.96129158
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H1AH2=54.13726394
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BAH12=131.31510075
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H3AB=106.94071399
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H9BA=107.8511363
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