Zeolite (Si and O, with some Xe) with some CO2 molecules
0    0
     24.4750735      0.0000000      0.0000000
      0.0000000     24.4750735      0.0000000
      0.0000000      0.0000000     24.4750735
NUMMOL       53       1     200
MOLECULE zeolite     584    584
 Si       c
      0.4513898     -0.3668470     -0.4576217     0
 Si       c
     -0.1875927     -0.3694940     -0.4576217     0
 Si       c
     -0.1875927     -0.3668470     -0.2786304     0
 Si       c
     -0.4575971      0.4513208     -0.3668026     0
 Si       c
     -0.1167780     -0.2986792      0.4713696     0
 Si       c
     -0.4375927      0.3805060      0.4713696     0
 Si       c
      0.4513898     -0.3694940     -0.2786304     0
 Si       c
     -0.2786059     -0.1876617     -0.3668026     0
 Si       c
      0.3805750     -0.4376617      0.4713696     0
 Si       c
     -0.2986102     -0.1168470      0.4713696     0
 Si       c
     -0.2786059      0.4513208     -0.3694495     0
 Si       c
      0.3805750     -0.2986792     -0.2076217     0
 Si       c
     -0.2986102      0.3805060     -0.2076217     0
 Si       c
     -0.4575971     -0.1876617     -0.3694495     0
 Si       c
     -0.3667780     -0.4576661      0.4513652     0
 Si       c
      0.4713941     -0.1168470     -0.2986348     0
 Si       c
      0.4713941     -0.4376617      0.3805505     0
 Si       c
     -0.1167780     -0.4376617     -0.2076217     0
 Si       c
     -0.2986102     -0.2076661      0.3805505     0
 Si       c
     -0.3694250     -0.1876617     -0.4576217     0
 Si       c
     -0.4375927     -0.1168470     -0.2076217     0
 Si       c
     -0.3694250     -0.2786749      0.4513652     0
 Si       c
     -0.2075971      0.3805060     -0.2986348     0
 Si       c
     -0.2075971     -0.2986792      0.3805505     0
 Si       c
     -0.4375927      0.4713251      0.3805505     0
 Si       c
     -0.3667780      0.4513208     -0.4576217     0
 Si       c
     -0.3694250     -0.4576661     -0.1876173     0
 Si       c
     -0.2075971     -0.1168470     -0.4376173     0
 Si       c
     -0.2075971     -0.4376617     -0.1168026     0
 Si       c
     -0.4375927     -0.2076661     -0.1168026     0
 Si       c
     -0.3667780     -0.1876617     -0.2786304     0
 Si       c
     -0.3667780     -0.2786749     -0.1876173     0
 Si       c
      0.4713941      0.3805060     -0.4376173     0
 Si       c
      0.4713941     -0.2986792     -0.1168026     0
 Si       c
     -0.2986102      0.4713251     -0.1168026     0
 Si       c
      0.3805750      0.4713251     -0.4376173     0
 Si       c
     -0.4575971     -0.3694940     -0.1876173     0
 Si       c
     -0.3694250      0.4513208     -0.2786304     0
 Si       c
     -0.1875927     -0.2786749     -0.3668026     0
 Si       c
     -0.1167780     -0.2076661     -0.4376173     0
 Si       c
     -0.2786059     -0.3668470     -0.1876173     0
 Si       c
      0.4513898     -0.4576661     -0.3668026     0
 Si       c
     -0.1167780      0.4713251     -0.2986348     0
 Si       c
     -0.2786059     -0.3694940      0.4513652     0
 Si       c
      0.4513898     -0.2786749     -0.3694495     0
 Si       c
      0.3805750     -0.2076661     -0.2986348     0
 Si       c
     -0.4575971     -0.3668470      0.4513652     0
 Si       c
     -0.1875927     -0.4576661     -0.3694495     0
 Si       c
      0.4513898      0.1331530      0.0423783     0
 Si       c
     -0.1875927      0.1305060      0.0423783     0
 Si       c
     -0.1875927      0.1331530      0.2213696     0
 Si       c
     -0.4575971     -0.0486792      0.1331974     0
 Si       c
     -0.1167780      0.2013208     -0.0286304     0
 Si       c
     -0.4375927     -0.1194940     -0.0286304     0
 Si       c
      0.4513898      0.1305060      0.2213696     0
 Si       c
     -0.2786059      0.3123383      0.1331974     0
 Si       c
      0.3805750      0.0623383     -0.0286304     0
 Si       c
     -0.2986102      0.3831530     -0.0286304     0
 Si       c
     -0.2786059     -0.0486792      0.1305505     0
 Si       c
      0.3805750      0.2013208      0.2923783     0
 Si       c
     -0.2986102     -0.1194940      0.2923783     0
 Si       c
     -0.4575971      0.3123383      0.1305505     0
 Si       c
     -0.3667780      0.0423339     -0.0486348     0
 Si       c
      0.4713941      0.3831530      0.2013652     0
 Si       c
      0.4713941      0.0623383     -0.1194495     0
 Si       c
     -0.1167780      0.0623383      0.2923783     0
 Si       c
     -0.2986102      0.2923339     -0.1194495     0
 Si       c
     -0.3694250      0.3123383      0.0423783     0
 Si       c
     -0.4375927      0.3831530      0.2923783     0
 Si       c
     -0.3694250      0.2213251     -0.0486348     0
 Si       c
     -0.2075971     -0.1194940      0.2013652     0
 Si       c
     -0.2075971      0.2013208     -0.1194495     0
 Si       c
     -0.4375927     -0.0286749     -0.1194495     0
 Si       c
     -0.3667780     -0.0486792      0.0423783     0
 Si       c
     -0.3694250      0.0423339      0.3123827     0
 Si       c
     -0.2075971      0.3831530      0.0623827     0
 Si       c
     -0.2075971      0.0623383      0.3831974     0
 Si       c
     -0.4375927      0.2923339      0.3831974     0
 Si       c
     -0.3667780      0.3123383      0.2213696     0
 Si       c
     -0.3667780      0.2213251      0.3123827     0
 Si       c
      0.4713941     -0.1194940      0.0623827     0
 Si       c
      0.4713941      0.2013208      0.3831974     0
 Si       c
     -0.2986102     -0.0286749      0.3831974     0
 Si       c
      0.3805750     -0.0286749      0.0623827     0
 Si       c
     -0.4575971      0.1305060      0.3123827     0
 Si       c
     -0.3694250     -0.0486792      0.2213696     0
 Si       c
     -0.1875927      0.2213251      0.1331974     0
 Si       c
     -0.1167780      0.2923339      0.0623827     0
 Si       c
     -0.2786059      0.1331530      0.3123827     0
 Si       c
      0.4513898      0.0423339      0.1331974     0
 Si       c
     -0.1167780     -0.0286749      0.2013652     0
 Si       c
     -0.2786059      0.1305060     -0.0486348     0
 Si       c
      0.4513898      0.2213251      0.1305505     0
 Si       c
      0.3805750      0.2923339      0.2013652     0
 Si       c
     -0.4575971      0.1331530     -0.0486348     0
 Si       c
     -0.1875927      0.0423339      0.1305505     0
 Si       c
     -0.0486102     -0.3668470      0.0423783     0
 Si       c
      0.3124073     -0.3694940      0.0423783     0
 Si       c
      0.3124073     -0.3668470      0.2213696     0
 Si       c
      0.0424029      0.4513208      0.1331974     0
 Si       c
      0.3832220     -0.2986792     -0.0286304     0
 Si       c
      0.0624073      0.3805060     -0.0286304     0
 Si       c
     -0.0486102     -0.3694940      0.2213696     0
 Si       c
      0.2213941     -0.1876617      0.1331974     0
 Si       c
     -0.1194250     -0.4376617     -0.0286304     0
 Si       c
      0.2013898     -0.1168470     -0.0286304     0
 Si       c
      0.2213941      0.4513208      0.1305505     0
 Si       c
     -0.1194250     -0.2986792      0.2923783     0
 Si       c
      0.2013898      0.3805060      0.2923783     0
 Si       c
      0.0424029     -0.1876617      0.1305505     0
 Si       c
      0.1332220     -0.4576661     -0.0486348     0
 Si       c
     -0.0286059     -0.1168470      0.2013652     0
 Si       c
     -0.0286059     -0.4376617     -0.1194495     0
 Si       c
      0.3832220     -0.4376617      0.2923783     0
 Si       c
      0.2013898     -0.2076661     -0.1194495     0
 Si       c
      0.1305750     -0.1876617      0.0423783     0
 Si       c
      0.0624073     -0.1168470      0.2923783     0
 Si       c
      0.1305750     -0.2786749     -0.0486348     0
 Si       c
      0.2924029      0.3805060      0.2013652     0
 Si       c
      0.2924029     -0.2986792     -0.1194495     0
 Si       c
      0.0624073      0.4713251     -0.1194495     0
 Si       c
      0.1332220      0.4513208      0.0423783     0
 Si       c
      0.1305750     -0.4576661      0.3123827     0
 Si       c
      0.2924029     -0.1168470      0.0623827     0
 Si       c
      0.2924029     -0.4376617      0.3831974     0
 Si       c
      0.0624073     -0.2076661      0.3831974     0
 Si       c
      0.1332220     -0.1876617      0.2213696     0
 Si       c
      0.1332220     -0.2786749      0.3123827     0
 Si       c
     -0.0286059      0.3805060      0.0623827     0
 Si       c
     -0.0286059     -0.2986792      0.3831974     0
 Si       c
      0.2013898      0.4713251      0.3831974     0
 Si       c
     -0.1194250      0.4713251      0.0623827     0
 Si       c
      0.0424029     -0.3694940      0.3123827     0
 Si       c
      0.1305750      0.4513208      0.2213696     0
 Si       c
      0.3124073     -0.2786749      0.1331974     0
 Si       c
      0.3832220     -0.2076661      0.0623827     0
 Si       c
      0.2213941     -0.3668470      0.3123827     0
 Si       c
     -0.0486102     -0.4576661      0.1331974     0
 Si       c
      0.3832220      0.4713251      0.2013652     0
 Si       c
      0.2213941     -0.3694940     -0.0486348     0
 Si       c
     -0.0486102     -0.2786749      0.1305505     0
 Si       c
     -0.1194250     -0.2076661      0.2013652     0
 Si       c
      0.0424029     -0.3668470     -0.0486348     0
 Si       c
      0.3124073     -0.4576661      0.1305505     0
 Si       c
     -0.0486102      0.1331530     -0.4576217     0
 Si       c
      0.3124073      0.1305060     -0.4576217     0
 Si       c
      0.3124073      0.1331530     -0.2786304     0
 Si       c
      0.0424029     -0.0486792     -0.3668026     0
 Si       c
      0.3832220      0.2013208      0.4713696     0
 Si       c
      0.0624073     -0.1194940      0.4713696     0
 Si       c
     -0.0486102      0.1305060     -0.2786304     0
 Si       c
      0.2213941      0.3123383     -0.3668026     0
 Si       c
     -0.1194250      0.0623383      0.4713696     0
 Si       c
      0.2013898      0.3831530      0.4713696     0
 Si       c
      0.2213941     -0.0486792     -0.3694495     0
 Si       c
     -0.1194250      0.2013208     -0.2076217     0
 Si       c
      0.2013898     -0.1194940     -0.2076217     0
 Si       c
      0.0424029      0.3123383     -0.3694495     0
 Si       c
      0.1332220      0.0423339      0.4513652     0
 Si       c
     -0.0286059      0.3831530     -0.2986348     0
 Si       c
     -0.0286059      0.0623383      0.3805505     0
 Si       c
      0.3832220      0.0623383     -0.2076217     0
 Si       c
      0.2013898      0.2923339      0.3805505     0
 Si       c
      0.1305750      0.3123383     -0.4576217     0
 Si       c
      0.0624073      0.3831530     -0.2076217     0
 Si       c
      0.1305750      0.2213251      0.4513652     0
 Si       c
      0.2924029     -0.1194940     -0.2986348     0
 Si       c
      0.2924029      0.2013208      0.3805505     0
 Si       c
      0.0624073     -0.0286749      0.3805505     0
 Si       c
      0.1332220     -0.0486792     -0.4576217     0
 Si       c
      0.1305750      0.0423339     -0.1876173     0
 Si       c
      0.2924029      0.3831530     -0.4376173     0
 Si       c
      0.2924029      0.0623383     -0.1168026     0
 Si       c
      0.0624073      0.2923339     -0.1168026     0
 Si       c
      0.1332220      0.3123383     -0.2786304     0
 Si       c
      0.1332220      0.2213251     -0.1876173     0
 Si       c
     -0.0286059     -0.1194940     -0.4376173     0
 Si       c
     -0.0286059      0.2013208     -0.1168026     0
 Si       c
      0.2013898     -0.0286749     -0.1168026     0
 Si       c
     -0.1194250     -0.0286749     -0.4376173     0
 Si       c
      0.0424029      0.1305060     -0.1876173     0
 Si       c
      0.1305750     -0.0486792     -0.2786304     0
 Si       c
      0.3124073      0.2213251     -0.3668026     0
 Si       c
      0.3832220      0.2923339     -0.4376173     0
 Si       c
      0.2213941      0.1331530     -0.1876173     0
 Si       c
     -0.0486102      0.0423339     -0.3668026     0
 Si       c
      0.3832220     -0.0286749     -0.2986348     0
 Si       c
      0.2213941      0.1305060      0.4513652     0
 Si       c
     -0.0486102      0.2213251     -0.3694495     0
 Si       c
     -0.1194250      0.2923339     -0.2986348     0
 Si       c
      0.0424029      0.1331530      0.4513652     0
 Si       c
      0.3124073      0.0423339     -0.3694495     0
 O_        c
      0.4000153     -0.4931705     -0.3862428     0
 O_        c
     -0.1362182     -0.2431705     -0.3862428     0
 O_        c
     -0.1362182     -0.4931705     -0.3500093     0
 O_        c
     -0.3862182      0.3999463     -0.4931261     0
 O_        c
     -0.2431015     -0.3500537      0.3999907     0
 O_        c
     -0.3862182     -0.4931705      0.3999907     0
 O_        c
      0.4000153     -0.2431705     -0.3500093     0
 O_        c
     -0.3499847     -0.1362872     -0.4931261     0
 O_        c
     -0.4931015     -0.3862872      0.3999907     0
 O_        c
     -0.3499847     -0.2431705      0.3999907     0
 O_        c
     -0.3499847      0.3999463     -0.2431261     0
 O_        c
     -0.4931015     -0.3500537     -0.1362428     0
 O_        c
     -0.3499847     -0.4931705     -0.1362428     0
 O_        c
     -0.3862182     -0.1362872     -0.2431261     0
 O_        c
      0.4000153     -0.3862872     -0.4931261     0
 O_        c
     -0.2431015     -0.3862872     -0.1362428     0
 O_        c
     -0.2431015     -0.1362872     -0.3862428     0
 O_        c
     -0.3862182     -0.2431705     -0.1362428     0
 O_        c
     -0.1362182     -0.3500537     -0.4931261     0
 O_        c
     -0.4931015      0.3999463     -0.3862428     0
 O_        c
     -0.1362182     -0.3862872     -0.2431261     0
 O_        c
     -0.4931015     -0.1362872     -0.3500093     0
 O_        c
      0.4000153     -0.3500537     -0.2431261     0
 O_        c
     -0.2431015      0.3999463     -0.3500093     0
 O_        c
      0.4000153      0.0068295      0.1137572     0
 O_        c
     -0.1362182      0.2568295      0.1137572     0
 O_        c
     -0.1362182      0.0068295      0.1499907     0
 O_        c
     -0.3862182     -0.1000537      0.0068739     0
 O_        c
     -0.2431015      0.1499463     -0.1000093     0
 O_        c
     -0.3862182      0.0068295     -0.1000093     0
 O_        c
      0.4000153      0.2568295      0.1499907     0
 O_        c
     -0.3499847      0.3637128      0.0068739     0
 O_        c
     -0.4931015      0.1137128     -0.1000093     0
 O_        c
     -0.3499847      0.2568295     -0.1000093     0
 O_        c
     -0.3499847     -0.1000537      0.2568739     0
 O_        c
     -0.4931015      0.1499463      0.3637572     0
 O_        c
     -0.3499847      0.0068295      0.3637572     0
 O_        c
     -0.3862182      0.3637128      0.2568739     0
 O_        c
      0.4000153      0.1137128      0.0068739     0
 O_        c
     -0.2431015      0.1137128      0.3637572     0
 O_        c
     -0.2431015      0.3637128      0.1137572     0
 O_        c
     -0.3862182      0.2568295      0.3637572     0
 O_        c
     -0.1362182      0.1499463      0.0068739     0
 O_        c
     -0.4931015     -0.1000537      0.1137572     0
 O_        c
     -0.1362182      0.1137128      0.2568739     0
 O_        c
     -0.4931015      0.3637128      0.1499907     0
 O_        c
      0.4000153      0.1499463      0.2568739     0
 O_        c
     -0.2431015     -0.1000537      0.1499907     0
 O_        c
     -0.0999847     -0.4931705      0.1137572     0
 O_        c
      0.3637818     -0.2431705      0.1137572     0
 O_        c
      0.3637818     -0.4931705      0.1499907     0
 O_        c
      0.1137818      0.3999463      0.0068739     0
 O_        c
      0.2568985     -0.3500537     -0.1000093     0
 O_        c
      0.1137818     -0.4931705     -0.1000093     0
 O_        c
     -0.0999847     -0.2431705      0.1499907     0
 O_        c
      0.1500153     -0.1362872      0.0068739     0
 O_        c
      0.0068985     -0.3862872     -0.1000093     0
 O_        c
      0.1500153     -0.2431705     -0.1000093     0
 O_        c
      0.1500153      0.3999463      0.2568739     0
 O_        c
      0.0068985     -0.3500537      0.3637572     0
 O_        c
      0.1500153     -0.4931705      0.3637572     0
 O_        c
      0.1137818     -0.1362872      0.2568739     0
 O_        c
     -0.0999847     -0.3862872      0.0068739     0
 O_        c
      0.2568985     -0.3862872      0.3637572     0
 O_        c
      0.2568985     -0.1362872      0.1137572     0
 O_        c
      0.1137818     -0.2431705      0.3637572     0
 O_        c
      0.3637818     -0.3500537      0.0068739     0
 O_        c
      0.0068985      0.3999463      0.1137572     0
 O_        c
      0.3637818     -0.3862872      0.2568739     0
 O_        c
      0.0068985     -0.1362872      0.1499907     0
 O_        c
     -0.0999847     -0.3500537      0.2568739     0
 O_        c
      0.2568985      0.3999463      0.1499907     0
 O_        c
     -0.0999847      0.0068295     -0.3862428     0
 O_        c
      0.3637818      0.2568295     -0.3862428     0
 O_        c
      0.3637818      0.0068295     -0.3500093     0
 O_        c
      0.1137818     -0.1000537     -0.4931261     0
 O_        c
      0.2568985      0.1499463      0.3999907     0
 O_        c
      0.1137818      0.0068295      0.3999907     0
 O_        c
     -0.0999847      0.2568295     -0.3500093     0
 O_        c
      0.1500153      0.3637128     -0.4931261     0
 O_        c
      0.0068985      0.1137128      0.3999907     0
 O_        c
      0.1500153      0.2568295      0.3999907     0
 O_        c
      0.1500153     -0.1000537     -0.2431261     0
 O_        c
      0.0068985      0.1499463     -0.1362428     0
 O_        c
      0.1500153      0.0068295     -0.1362428     0
 O_        c
      0.1137818      0.3637128     -0.2431261     0
 O_        c
     -0.0999847      0.1137128     -0.4931261     0
 O_        c
      0.2568985      0.1137128     -0.1362428     0
 O_        c
      0.2568985      0.3637128     -0.3862428     0
 O_        c
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      0.1880702     -0.3119988      0.3235346     0
 O_        c
      0.0735592     -0.0619988      0.3257023     0
 O_        c
      0.0757269     -0.4243421      0.3235346     0
 O_        c
      0.1902379      0.3256579      0.3257023     0
 O_        c
     -0.0597621      0.0756579     -0.3119544     0
 O_        c
      0.3235592      0.1880012     -0.3119544     0
 O_        c
      0.3235592      0.0756579     -0.4242977     0
 O_        c
      0.1880702     -0.0598311     -0.4242977     0
 O_        c
     -0.0597621      0.1880012     -0.4242977     0
 O_        c
      0.0757269      0.3234902     -0.4242977     0
 O_        c
      0.0757269     -0.0598311     -0.3119544     0
 O_        c
      0.1880702      0.3234902     -0.3119544     0
 O_        c
      0.0757269      0.1880012      0.4402133     0
 O_        c
      0.1880702      0.0756579      0.4402133     0
 O_        c
      0.1880702      0.1880012     -0.1764654     0
 O_        c
      0.0757269      0.0756579     -0.1764654     0
 Xe       c
     -0.3645463      0.1332779      0.1349178     0
 Xe       c
      0.1365022      0.1299234     -0.3640797     0
 Xe       c
     -0.1203591     -0.1153424      0.3812378     0
 Xe       c
      0.3815556     -0.1201187     -0.1155166     0
 Xe       c
      0.1297525     -0.3654132      0.1299045     0
 Xe       c
     -0.1194316      0.3848318     -0.1222949     0
 Xe       c
     -0.3859518     -0.3663897     -0.3695383     0
 Xe       c
      0.3689265      0.3854242      0.3659815     0
MOLECULE co2           3      3
 C_        c
     -0.0690587      0.2622189      0.3753214    -1
 O_C       c
     -0.0667486      0.2988544      0.4099548    -1
 O_C       c
     -0.0678644      0.2244659      0.3421117    -1
MOLECULE co2           3      3
 C_        c
     -0.2082476      0.2372765      0.4633825    -1
 O_C       c
     -0.1711645      0.2281953      0.4303772    -1
 O_C       c
     -0.2472800      0.2435064      0.4944833    -1
MOLECULE co2           3      3
 C_        c
     -0.2517538      0.4943299      0.1848802    -1
 O_C       c
     -0.2742815      0.4965386      0.1397737    -1
 O_C       c
     -0.2314602      0.4889255      0.2305810    -1
MOLECULE co2           3      3
 C_        c
      0.2388398     -0.2470826     -0.4711548    -1
 O_C       c
      0.2478174     -0.2030312     -0.4940863    -1
 O_C       c
      0.2315478     -0.2927566     -0.4513986    -1
MOLECULE co2           3      3
 C_        c
      0.2315724     -0.4934781     -0.2455533    -1
 O_C       c
      0.2528174      0.4658132     -0.2246147    -1
 O_C       c
      0.2071292     -0.4537740     -0.2644137    -1
MOLECULE co2           3      3
 C_        c
     -0.4804309      0.4861217      0.0145167    -1
 O_C       c
      0.4714150      0.4768888      0.0025625    -1
 O_C       c
     -0.4325851      0.4984001      0.0239834    -1
MOLECULE co2           3      3
 C_        c
     -0.1346874     -0.4676405      0.3673850    -1
 O_C       c
     -0.0884354     -0.4498520      0.3578303    -1
 O_C       c
     -0.1796570     -0.4887501      0.3752417    -1
MOLECULE co2           3      3
 C_        c
      0.1018698      0.4975463     -0.3260961    -1
 O_C       c
      0.1127481      0.4850738     -0.3737729    -1
 O_C       c
      0.0874592     -0.4915753     -0.2791537    -1
MOLECULE co2           3      3
 C_        c
     -0.3811355      0.2774701     -0.3858665    -1
 O_C       c
     -0.3993809      0.2414740     -0.4161709    -1
 O_C       c
     -0.3638152      0.3159424     -0.3584897    -1
MOLECULE co2           3      3
 C_        c
      0.0611655      0.0043019      0.0269575    -1
 O_C       c
      0.0586734     -0.0206953      0.0707285    -1
 O_C       c
      0.0673706      0.0301130     -0.0157611    -1
MOLECULE co2           3      3
 C_        c
      0.0839911     -0.3417763     -0.2234112    -1
 O_C       c
      0.0417517     -0.3304608     -0.2486059    -1
 O_C       c
      0.1242092     -0.3520244     -0.1950022    -1
MOLECULE co2           3      3
 C_        c
      0.3796356     -0.1227222      0.2522944    -1
 O_C       c
      0.3800966     -0.0990808      0.2968797    -1
 O_C       c
      0.3792212     -0.1427384      0.2061557    -1
MOLECULE co2           3      3
 C_        c
     -0.0109646     -0.2084907     -0.2301178    -1
 O_C       c
     -0.0004614     -0.2216527     -0.1825424    -1
 O_C       c
     -0.0176025     -0.1946059     -0.2780004    -1
MOLECULE co2           3      3
 C_        c
     -0.3240673     -0.4012326      0.0293474    -1
 O_C       c
     -0.3282104     -0.3858076      0.0772209    -1
 O_C       c
     -0.3171762     -0.4138466     -0.0188501    -1
MOLECULE co2           3      3
 C_        c
      0.2398434      0.0349633      0.2758232    -1
 O_C       c
      0.2767049      0.0272065      0.2422369    -1
 O_C       c
      0.2036821      0.0465539      0.3088022    -1
MOLECULE co2           3      3
 C_        c
     -0.2495119     -0.0702644     -0.1058957    -1
 O_C       c
     -0.2689933     -0.1069989     -0.0772947    -1
 O_C       c
     -0.2265338     -0.0350695     -0.1335168    -1
MOLECULE co2           3      3
 C_        c
     -0.1259583      0.0373209     -0.0887072    -1
 O_C       c
     -0.1107838      0.0000618     -0.0582364    -1
 O_C       c
     -0.1378118      0.0738546     -0.1211785    -1
MOLECULE co2           3      3
 C_        c
      0.4706458     -0.2665865      0.2651632    -1
 O_C       c
      0.4349287     -0.2794429      0.2984195    -1
 O_C       c
     -0.4917221     -0.2569154      0.2332274    -1
MOLECULE co2           3      3
 C_        c
     -0.2939534      0.1716749     -0.3638292    -1
 O_C       c
     -0.3331532      0.1399399     -0.3656279    -1
 O_C       c
     -0.2559960      0.2042186     -0.3583754    -1
MOLECULE co2           3      3
 C_        c
      0.3628554     -0.4860395     -0.0978977    -1
 O_C       c
      0.4009512     -0.4813701     -0.1306678    -1
 O_C       c
      0.3231422     -0.4876870     -0.0670797    -1
MOLECULE co2           3      3
 C_        c
     -0.3893009      0.0891819      0.4875833    -1
 O_C       c
     -0.4032543      0.0453535     -0.4916477    -1
 O_C       c
     -0.3790984      0.1340940      0.4673741    -1
MOLECULE co2           3      3
 C_        c
     -0.4946635      0.2544850     -0.2128143    -1
 O_C       c
      0.4581971      0.2539867     -0.1947974    -1
 O_C       c
     -0.4465048      0.2535791     -0.2272891    -1
MOLECULE co2           3      3
 C_        c
      0.2454422      0.3665057     -0.0608949    -1
 O_C       c
      0.2787269      0.3678239     -0.0229823    -1
 O_C       c
      0.2133782      0.3614714     -0.0993157    -1
MOLECULE co2           3      3
 C_        c
      0.2729624     -0.3557283     -0.3402836    -1
 O_C       c
      0.2336674     -0.3302775     -0.3214386    -1
 O_C       c
      0.3132875     -0.3817312     -0.3553614    -1
MOLECULE co2           3      3
 C_        c
      0.3396120      0.2243293     -0.0849966    -1
 O_C       c
      0.3200833      0.2455114     -0.0435609    -1
 O_C       c
      0.3615958      0.2013201     -0.1239439    -1
MOLECULE co2           3      3
 C_        c
      0.1193598     -0.2217949     -0.3626174    -1
 O_C       c
      0.1501711     -0.2237664     -0.3226956    -1
 O_C       c
      0.0865820     -0.2227388     -0.4007529    -1
MOLECULE co2           3      3
 C_        c
     -0.2645294      0.0060727     -0.2842987    -1
 O_C       c
     -0.2461595      0.0510078     -0.2705020    -1
 O_C       c
     -0.2831452     -0.0372878     -0.3017033    -1
MOLECULE co2           3      3
 C_        c
     -0.0376987      0.4898890     -0.4855709    -1
 O_C       c
     -0.0443795     -0.4601585     -0.4829083    -1
 O_C       c
     -0.0338978      0.4397377     -0.4855456    -1
MOLECULE co2           3      3
 C_        c
     -0.4431970     -0.3232014      0.0263492    -1
 O_C       c
     -0.4430029     -0.3683315      0.0037614    -1
 O_C       c
     -0.4473063     -0.2785269      0.0490847    -1
MOLECULE co2           3      3
 C_        c
     -0.0569803     -0.1904350     -0.0030149    -1
 O_C       c
     -0.0637133     -0.1507989      0.0274911    -1
 O_C       c
     -0.0540375     -0.2308709     -0.0327786    -1
MOLECULE co2           3      3
 C_        c
     -0.2823712     -0.2559338      0.1411455    -1
 O_C       c
     -0.3027027     -0.2667833      0.1860443    -1
 O_C       c
     -0.2608070     -0.2417600      0.0979751    -1
MOLECULE co2           3      3
 C_        c
      0.2499388      0.1136004      0.1302918    -1
 O_C       c
      0.2700709      0.1429921      0.1660381    -1
 O_C       c
      0.2335222      0.0830962      0.0938283    -1
MOLECULE co2           3      3
 C_        c
     -0.1596114     -0.2512123     -0.1760295    -1
 O_C       c
     -0.1452831     -0.2955312     -0.1566000    -1
 O_C       c
     -0.1732110     -0.2085629     -0.1989574    -1
MOLECULE co2           3      3
 C_        c
     -0.0042380      0.1093583      0.1341877    -1
 O_C       c
     -0.0536581      0.1143153      0.1431352    -1
 O_C       c
      0.0441652      0.1044630      0.1214297    -1
MOLECULE co2           3      3
 C_        c
      0.0124515      0.4005366      0.3774317    -1
 O_C       c
     -0.0221485      0.4372160      0.3753271    -1
 O_C       c
      0.0496547      0.3667171      0.3787602    -1
MOLECULE co2           3      3
 C_        c
      0.1337543     -0.3798463     -0.4965982    -1
 O_C       c
      0.1363704     -0.4014045     -0.4510420    -1
 O_C       c
      0.1274162     -0.3595925      0.4578034    -1
MOLECULE co2           3      3
 C_        c
      0.4164290      0.0274015      0.4135283    -1
 O_C       c
      0.3847495      0.0554458      0.3860165    -1
 O_C       c
      0.4503784      0.0025821      0.4411152    -1
MOLECULE co2           3      3
 C_        c
      0.3738393      0.3840821     -0.2478888    -1
 O_C       c
      0.3875157      0.3859137     -0.2964333    -1
 O_C       c
      0.3599656      0.3783487     -0.1998862    -1
MOLECULE co2           3      3
 C_        c
     -0.0189499     -0.3968057     -0.3713902    -1
 O_C       c
      0.0298852     -0.4094472     -0.3729058    -1
 O_C       c
     -0.0671611     -0.3835169     -0.3660342    -1
MOLECULE co2           3      3
 C_        c
      0.1490308      0.1599245      0.0052175    -1
 O_C       c
      0.1448028      0.1900915      0.0454549    -1
 O_C       c
      0.1513897      0.1270840     -0.0328027    -1
MOLECULE co2           3      3
 C_        c
     -0.0043739      0.2709203      0.2128507    -1
 O_C       c
     -0.0218326      0.3067933      0.2437585    -1
 O_C       c
      0.0166257      0.2366489      0.1826167    -1
MOLECULE co2           3      3
 C_        c
     -0.1370011      0.3677466      0.2443223    -1
 O_C       c
     -0.1223066      0.3857038      0.1995051    -1
 O_C       c
     -0.1485957      0.3473717      0.2888198    -1
MOLECULE co2           3      3
 C_        c
     -0.2427297      0.3803496      0.4206851    -1
 O_C       c
     -0.2876265      0.3755454      0.3981423    -1
 O_C       c
     -0.1999024      0.3863588      0.4463620    -1
MOLECULE co2           3      3
 C_        c
     -0.4878034     -0.4202076      0.1565759    -1
 O_C       c
     -0.4477676     -0.4506349      0.1522990    -1
 O_C       c
      0.4725196     -0.3893014      0.1569542    -1
MOLECULE co2           3      3
 C_        c
     -0.3148824     -0.3806666      0.2695591    -1
 O_C       c
     -0.3559645     -0.3799261      0.2988626    -1
 O_C       c
     -0.2719414     -0.3827658      0.2434581    -1
MOLECULE co2           3      3
 C_        c
      0.1401744      0.2661923      0.1529190    -1
 O_C       c
      0.1174248      0.2985648      0.1215908    -1
 O_C       c
      0.1662278      0.2357759      0.1833437    -1
MOLECULE co2           3      3
 C_        c
      0.4748025      0.1481231     -0.3513713    -1
 O_C       c
     -0.4856348      0.1623612     -0.3234599    -1
 O_C       c
      0.4337204      0.1325927     -0.3758799    -1
MOLECULE co2           3      3
 C_        c
     -0.1198016     -0.0934919     -0.2502354    -1
 O_C       c
     -0.0924526     -0.0653805     -0.2184745    -1
 O_C       c
     -0.1438921     -0.1216780     -0.2842176    -1
MOLECULE co2           3      3
 C_        c
      0.4085887      0.3262723      0.0094603    -1
 O_C       c
      0.3904298      0.3563872      0.0456587    -1
 O_C       c
      0.4271493      0.2934889     -0.0238616    -1
MOLECULE co2           3      3
 C_        c
     -0.4748159      0.3946623     -0.1314089    -1
 O_C       c
     -0.4656397      0.3541251     -0.1027819    -1
 O_C       c
     -0.4815910      0.4370952     -0.1575461    -1
MOLECULE co2           3      3
 C_        c
      0.0037391     -0.0699989     -0.1083595    -1
 O_C       c
      0.0156913     -0.1111308     -0.0816709    -1
 O_C       c
     -0.0057350     -0.0303058     -0.1377584    -1
MOLECULE co2           3      3
 C_        c
      0.3653450     -0.2059121      0.4130196    -1
 O_C       c
      0.4000611     -0.1937675      0.4475779    -1
 O_C       c
      0.3285506     -0.2194438      0.3815130    -1
