Argon GCMC test #header                                                         
  0  2       475  EXTRAS      18424  10000000     77.0000000 -0.9149362E+07
     25.3904129      0.0000000      0.0000000
      0.0000000     25.3904129      0.0000000
      0.0000000      0.0000000     25.3904129
NUMMOL         18      1         6000
MOLECULE Nitrogen         3         3
 N        c
      3.5571716      3.9337536     -3.6686766     0
 M        c
      3.2750652      3.4628880     -3.6340121     0
 N        c
      2.9929589      2.9920224     -3.5993476     0
MOLECULE IRMOF1         424       424
 Zn       c
      7.5165441      5.2937126      5.2937126     0
 O\_Zn    c
      6.4051284      6.4051284      6.4051284     0
 O        c
      7.2216583      5.5885985      3.4339145     0
 C\_OO    c
      6.4051284      6.4051284      2.8525831     0
 C        c
      6.4051284      6.4051284      1.3791557     0
 C\_COO   c
      7.2475347      5.5627221      0.6884273     0
 H        c
      7.8127193      4.9975374      1.1488269     0
 Zn       c
     -7.2864435     -5.0636120      5.2937126     0
 O\_Zn    c
     -6.1750278     -6.1750278      6.4051284     0
 O        c
     -6.9915577     -5.3584979      3.4339145     0
 C\_OO    c
     -6.1750278     -6.1750278      2.8525831     0
 C        c
     -6.1750278     -6.1750278      1.3791557     0
 C\_COO   c
     -7.0174341     -5.3326215      0.6884273     0
 H        c
     -7.5826187     -4.7674368      1.1488269     0
 Zn       c
     -7.2864435      5.2937126     -5.0636120     0
 O\_Zn    c
     -6.1750278      6.4051284     -6.1750278     0
 O        c
     -6.9915577      5.5885985     -3.2038139     0
 C\_OO    c
     -6.1750278      6.4051284     -2.6224825     0
 C        c
     -6.1750278      6.4051284     -1.1490550     0
 C\_COO   c
     -7.0174341      5.5627221     -0.4583267     0
 H        c
     -7.5826187      4.9975374     -0.9187263     0
 Zn       c
      7.5165441     -5.0636120     -5.0636120     0
 O\_Zn    c
      6.4051284     -6.1750278     -6.1750278     0
 O        c
      7.2216583     -5.3584979     -3.2038139     0
 C\_OO    c
      6.4051284     -6.1750278     -2.6224825     0
 C        c
      6.4051284     -6.1750278     -1.1490550     0
 C\_COO   c
      7.2475347     -5.3326215     -0.4583267     0
 H        c
      7.8127193     -4.7674368     -0.9187263     0
 Zn       c
      5.2937126      7.5165441      5.2937126     0
 O        c
      3.4339145      7.2216583      5.5885985     0
 C\_OO    c
      2.8525831      6.4051284      6.4051284     0
 C        c
      1.3791557      6.4051284      6.4051284     0
 C\_COO   c
      0.6884273      7.2475347      5.5627221     0
 H        c
      1.1488269      7.8127193      4.9975374     0
 Zn       c
      5.2937126     -7.2864435     -5.0636120     0
 O        c
      3.4339145     -6.9915577     -5.3584979     0
 C\_OO    c
      2.8525831     -6.1750278     -6.1750278     0
 C        c
      1.3791557     -6.1750278     -6.1750278     0
 C\_COO   c
      0.6884273     -7.0174341     -5.3326215     0
 H        c
      1.1488269     -7.5826187     -4.7674368     0
 Zn       c
     -5.0636120     -7.2864435      5.2937126     0
 O        c
     -3.2038139     -6.9915577      5.5885985     0
 C\_OO    c
     -2.6224825     -6.1750278      6.4051284     0
 C        c
     -1.1490550     -6.1750278      6.4051284     0
 C\_COO   c
     -0.4583267     -7.0174341      5.5627221     0
 H        c
     -0.9187263     -7.5826187      4.9975374     0
 Zn       c
     -5.0636120      7.5165441     -5.0636120     0
 O        c
     -3.2038139      7.2216583     -5.3584979     0
 C\_OO    c
     -2.6224825      6.4051284     -6.1750278     0
 C        c
     -1.1490550      6.4051284     -6.1750278     0
 C\_COO   c
     -0.4583267      7.2475347     -5.3326215     0
 H        c
     -0.9187263      7.8127193     -4.7674368     0
 Zn       c
      5.2937126      5.2937126      7.5165441     0
 O        c
      5.5885985      3.4339145      7.2216583     0
 C\_OO    c
      6.4051284      2.8525831      6.4051284     0
 C        c
      6.4051284      1.3791557      6.4051284     0
 C\_COO   c
      5.5627221      0.6884273      7.2475347     0
 H        c
      4.9975374      1.1488269      7.8127193     0
 Zn       c
     -5.0636120      5.2937126     -7.2864435     0
 O        c
     -5.3584979      3.4339145     -6.9915577     0
 C\_OO    c
     -6.1750278      2.8525831     -6.1750278     0
 C        c
     -6.1750278      1.3791557     -6.1750278     0
 C\_COO   c
     -5.3326215      0.6884273     -7.0174341     0
 H        c
     -4.7674368      1.1488269     -7.5826187     0
 Zn       c
      5.2937126     -5.0636120     -7.2864435     0
 O        c
      5.5885985     -3.2038139     -6.9915577     0
 C\_OO    c
      6.4051284     -2.6224825     -6.1750278     0
 C        c
      6.4051284     -1.1490550     -6.1750278     0
 C\_COO   c
      5.5627221     -0.4583267     -7.0174341     0
 H        c
      4.9975374     -0.9187263     -7.5826187     0
 Zn       c
     -5.0636120     -5.0636120      7.5165441     0
 O        c
     -5.3584979     -3.2038139      7.2216583     0
 C\_OO    c
     -6.1750278     -2.6224825      6.4051284     0
 C        c
     -6.1750278     -1.1490550      6.4051284     0
 C\_COO   c
     -5.3326215     -0.4583267      7.2475347     0
 H        c
     -4.7674368     -0.9187263      7.8127193     0
 Zn       c
      5.2937126      7.5165441     -5.0636120     0
 O\_Zn    c
      6.4051284      6.4051284     -6.1750278     0
 O        c
      5.5885985      7.2216583     -3.2038139     0
 C\_OO    c
      6.4051284      6.4051284     -2.6224825     0
 C        c
      6.4051284      6.4051284     -1.1490550     0
 C\_COO   c
      5.5627221      7.2475347     -0.4583267     0
 H        c
      4.9975374      7.8127193     -0.9187263     0
 Zn       c
     -5.0636120     -7.2864435     -5.0636120     0
 O\_Zn    c
     -6.1750278     -6.1750278     -6.1750278     0
 O        c
     -5.3584979     -6.9915577     -3.2038139     0
 C\_OO    c
     -6.1750278     -6.1750278     -2.6224825     0
 C        c
     -6.1750278     -6.1750278     -1.1490550     0
 C\_COO   c
     -5.3326215     -7.0174341     -0.4583267     0
 H        c
     -4.7674368     -7.5826187     -0.9187263     0
 Zn       c
      5.2937126     -7.2864435      5.2937126     0
 O\_Zn    c
      6.4051284     -6.1750278      6.4051284     0
 O        c
      5.5885985     -6.9915577      3.4339145     0
 C\_OO    c
      6.4051284     -6.1750278      2.8525831     0
 C        c
      6.4051284     -6.1750278      1.3791557     0
 C\_COO   c
      5.5627221     -7.0174341      0.6884273     0
 H        c
      4.9975374     -7.5826187      1.1488269     0
 Zn       c
     -5.0636120      7.5165441      5.2937126     0
 O\_Zn    c
     -6.1750278      6.4051284      6.4051284     0
 O        c
     -5.3584979      7.2216583      3.4339145     0
 C\_OO    c
     -6.1750278      6.4051284      2.8525831     0
 C        c
     -6.1750278      6.4051284      1.3791557     0
 C\_COO   c
     -5.3326215      7.2475347      0.6884273     0
 H        c
     -4.7674368      7.8127193      1.1488269     0
 Zn       c
      7.5165441      5.2937126     -5.0636120     0
 O        c
      7.2216583      3.4339145     -5.3584979     0
 C\_OO    c
      6.4051284      2.8525831     -6.1750278     0
 C        c
      6.4051284      1.3791557     -6.1750278     0
 C\_COO   c
      7.2475347      0.6884273     -5.3326215     0
 H        c
      7.8127193      1.1488269     -4.7674368     0
 Zn       c
     -7.2864435      5.2937126      5.2937126     0
 O        c
     -6.9915577      3.4339145      5.5885985     0
 C\_OO    c
     -6.1750278      2.8525831      6.4051284     0
 C        c
     -6.1750278      1.3791557      6.4051284     0
 C\_COO   c
     -7.0174341      0.6884273      5.5627221     0
 H        c
     -7.5826187      1.1488269      4.9975374     0
 Zn       c
     -7.2864435     -5.0636120     -5.0636120     0
 O        c
     -6.9915577     -3.2038139     -5.3584979     0
 C\_OO    c
     -6.1750278     -2.6224825     -6.1750278     0
 C        c
     -6.1750278     -1.1490550     -6.1750278     0
 C\_COO   c
     -7.0174341     -0.4583267     -5.3326215     0
 H        c
     -7.5826187     -0.9187263     -4.7674368     0
 Zn       c
      7.5165441     -5.0636120      5.2937126     0
 O        c
      7.2216583     -3.2038139      5.5885985     0
 C\_OO    c
      6.4051284     -2.6224825      6.4051284     0
 C        c
      6.4051284     -1.1490550      6.4051284     0
 C\_COO   c
      7.2475347     -0.4583267      5.5627221     0
 H        c
      7.8127193     -0.9187263      4.9975374     0
 Zn       c
      5.2937126      5.2937126     -7.2864435     0
 O        c
      3.4339145      5.5885985     -6.9915577     0
 C\_OO    c
      2.8525831      6.4051284     -6.1750278     0
 C        c
      1.3791557      6.4051284     -6.1750278     0
 C\_COO   c
      0.6884273      5.5627221     -7.0174341     0
 H        c
      1.1488269      4.9975374     -7.5826187     0
 Zn       c
      5.2937126     -5.0636120      7.5165441     0
 O        c
      3.4339145     -5.3584979      7.2216583     0
 C\_OO    c
      2.8525831     -6.1750278      6.4051284     0
 C        c
      1.3791557     -6.1750278      6.4051284     0
 C\_COO   c
      0.6884273     -5.3326215      7.2475347     0
 H        c
      1.1488269     -4.7674368      7.8127193     0
 Zn       c
     -5.0636120      5.2937126      7.5165441     0
 O        c
     -3.2038139      5.5885985      7.2216583     0
 C\_OO    c
     -2.6224825      6.4051284      6.4051284     0
 C        c
     -1.1490550      6.4051284      6.4051284     0
 C\_COO   c
     -0.4583267      5.5627221      7.2475347     0
 H        c
     -0.9187263      4.9975374      7.8127193     0
 Zn       c
     -5.0636120     -5.0636120     -7.2864435     0
 O        c
     -3.2038139     -5.3584979     -6.9915577     0
 C\_OO    c
     -2.6224825     -6.1750278     -6.1750278     0
 C        c
     -1.1490550     -6.1750278     -6.1750278     0
 C\_COO   c
     -0.4583267     -5.3326215     -7.0174341     0
 H        c
     -0.9187263     -4.7674368     -7.5826187     0
 O        c
     -6.9915577     -5.3584979     -3.2038139     0
 C\_COO   c
     -7.0174341     -5.3326215     -0.4583267     0
 H        c
     -7.5826187     -4.7674368     -0.9187263     0
 O        c
      7.2216583      5.5885985     -3.2038139     0
 C\_COO   c
      7.2475347      5.5627221     -0.4583267     0
 H        c
      7.8127193      4.9975374     -0.9187263     0
 O        c
      7.2216583     -5.3584979      3.4339145     0
 C\_COO   c
      7.2475347     -5.3326215      0.6884273     0
 H        c
      7.8127193     -4.7674368      1.1488269     0
 O        c
     -6.9915577      5.5885985      3.4339145     0
 C\_COO   c
     -7.0174341      5.5627221      0.6884273     0
 H        c
     -7.5826187      4.9975374      1.1488269     0
 O        c
     -3.2038139     -6.9915577     -5.3584979     0
 C\_COO   c
     -0.4583267     -7.0174341     -5.3326215     0
 H        c
     -0.9187263     -7.5826187     -4.7674368     0
 O        c
     -3.2038139      7.2216583      5.5885985     0
 C\_COO   c
     -0.4583267      7.2475347      5.5627221     0
 H        c
     -0.9187263      7.8127193      4.9975374     0
 O        c
      3.4339145      7.2216583     -5.3584979     0
 C\_COO   c
      0.6884273      7.2475347     -5.3326215     0
 H        c
      1.1488269      7.8127193     -4.7674368     0
 O        c
      3.4339145     -6.9915577      5.5885985     0
 C\_COO   c
      0.6884273     -7.0174341      5.5627221     0
 H        c
      1.1488269     -7.5826187      4.9975374     0
 O        c
     -5.3584979     -3.2038139     -6.9915577     0
 C\_COO   c
     -5.3326215     -0.4583267     -7.0174341     0
 H        c
     -4.7674368     -0.9187263     -7.5826187     0
 O        c
      5.5885985     -3.2038139      7.2216583     0
 C\_COO   c
      5.5627221     -0.4583267      7.2475347     0
 H        c
      4.9975374     -0.9187263      7.8127193     0
 O        c
     -5.3584979      3.4339145      7.2216583     0
 C\_COO   c
     -5.3326215      0.6884273      7.2475347     0
 H        c
     -4.7674368      1.1488269      7.8127193     0
 O        c
      5.5885985      3.4339145     -6.9915577     0
 C\_COO   c
      5.5627221      0.6884273     -7.0174341     0
 H        c
      4.9975374      1.1488269     -7.5826187     0
 O        c
     -5.3584979     -6.9915577      3.4339145     0
 C\_COO   c
     -5.3326215     -7.0174341      0.6884273     0
 H        c
     -4.7674368     -7.5826187      1.1488269     0
 O        c
      5.5885985      7.2216583      3.4339145     0
 C\_COO   c
      5.5627221      7.2475347      0.6884273     0
 H        c
      4.9975374      7.8127193      1.1488269     0
 O        c
     -5.3584979      7.2216583     -3.2038139     0
 C\_COO   c
     -5.3326215      7.2475347     -0.4583267     0
 H        c
     -4.7674368      7.8127193     -0.9187263     0
 O        c
      5.5885985     -6.9915577     -3.2038139     0
 C\_COO   c
      5.5627221     -7.0174341     -0.4583267     0
 H        c
      4.9975374     -7.5826187     -0.9187263     0
 O        c
     -6.9915577     -3.2038139      5.5885985     0
 C\_COO   c
     -7.0174341     -0.4583267      5.5627221     0
 H        c
     -7.5826187     -0.9187263      4.9975374     0
 O        c
      7.2216583     -3.2038139     -5.3584979     0
 C\_COO   c
      7.2475347     -0.4583267     -5.3326215     0
 H        c
      7.8127193     -0.9187263     -4.7674368     0
 O        c
      7.2216583      3.4339145      5.5885985     0
 C\_COO   c
      7.2475347      0.6884273      5.5627221     0
 H        c
      7.8127193      1.1488269      4.9975374     0
 O        c
     -6.9915577      3.4339145     -5.3584979     0
 C\_COO   c
     -7.0174341      0.6884273     -5.3326215     0
 H        c
     -7.5826187      1.1488269     -4.7674368     0
 O        c
     -3.2038139     -5.3584979      7.2216583     0
 C\_COO   c
     -0.4583267     -5.3326215      7.2475347     0
 H        c
     -0.9187263     -4.7674368      7.8127193     0
 O        c
     -3.2038139      5.5885985     -6.9915577     0
 C\_COO   c
     -0.4583267      5.5627221     -7.0174341     0
 H        c
     -0.9187263      4.9975374     -7.5826187     0
 O        c
      3.4339145     -5.3584979     -6.9915577     0
 C\_COO   c
      0.6884273     -5.3326215     -7.0174341     0
 H        c
      1.1488269     -4.7674368     -7.5826187     0
 O        c
      3.4339145      5.5885985      7.2216583     0
 C\_COO   c
      0.6884273      5.5627221      7.2475347     0
 H        c
      1.1488269      4.9975374      7.8127193     0
 Zn       c
      7.5165441     -7.2864435     -7.2864435     0
 O        c
      7.2216583     -6.9915577     -9.1462416     0
 C\_OO    c
      6.4051284     -6.1750278     -9.7275730     0
 C        c
      6.4051284     -6.1750278    -11.2010005     0
 C\_COO   c
      7.2475347     -7.0174341    -11.8917288     0
 H        c
      7.8127193     -7.5826187    -11.4313292     0
 Zn       c
     -7.2864435      7.5165441     -7.2864435     0
 O        c
     -6.9915577      7.2216583     -9.1462416     0
 C\_OO    c
     -6.1750278      6.4051284     -9.7275730     0
 C        c
     -6.1750278      6.4051284    -11.2010005     0
 C\_COO   c
     -7.0174341      7.2475347    -11.8917288     0
 H        c
     -7.5826187      7.8127193    -11.4313292     0
 Zn       c
     -7.2864435     -7.2864435      7.5165441     0
 O        c
     -6.9915577     -6.9915577      9.3763423     0
 C\_OO    c
     -6.1750278     -6.1750278      9.9576736     0
 C        c
     -6.1750278     -6.1750278     11.4311011     0
 C\_COO   c
     -7.0174341     -7.0174341     12.1218294     0
 H        c
     -7.5826187     -7.5826187     11.6614298     0
 Zn       c
      7.5165441      7.5165441      7.5165441     0
 O        c
      7.2216583      7.2216583      9.3763423     0
 C\_OO    c
      6.4051284      6.4051284      9.9576736     0
 C        c
      6.4051284      6.4051284     11.4311011     0
 C\_COO   c
      7.2475347      7.2475347     12.1218294     0
 H        c
      7.8127193      7.8127193     11.6614298     0
 O        c
      5.5885985     -9.1462416     -5.3584979     0
 C\_OO    c
      6.4051284     -9.7275730     -6.1750278     0
 C        c
      6.4051284    -11.2010005     -6.1750278     0
 C\_COO   c
      5.5627221    -11.8917288     -5.3326215     0
 H        c
      4.9975374    -11.4313292     -4.7674368     0
 O        c
     -5.3584979     -9.1462416      5.5885985     0
 C\_OO    c
     -6.1750278     -9.7275730      6.4051284     0
 C        c
     -6.1750278    -11.2010005      6.4051284     0
 C\_COO   c
     -5.3326215    -11.8917288      5.5627221     0
 H        c
     -4.7674368    -11.4313292      4.9975374     0
 O        c
      5.5885985      9.3763423      5.5885985     0
 C\_OO    c
      6.4051284      9.9576736      6.4051284     0
 C        c
      6.4051284     11.4311011      6.4051284     0
 C\_COO   c
      5.5627221     12.1218294      5.5627221     0
 H        c
      4.9975374     11.6614298      4.9975374     0
 O        c
     -5.3584979      9.3763423     -5.3584979     0
 C\_OO    c
     -6.1750278      9.9576736     -6.1750278     0
 C        c
     -6.1750278     11.4311011     -6.1750278     0
 C\_COO   c
     -5.3326215     12.1218294     -5.3326215     0
 H        c
     -4.7674368     11.6614298     -4.7674368     0
 O        c
      5.5885985     -5.3584979      9.3763423     0
 C\_OO    c
      6.4051284     -6.1750278      9.9576736     0
 C        c
      6.4051284     -6.1750278     11.4311011     0
 C\_COO   c
      5.5627221     -5.3326215     12.1218294     0
 H        c
      4.9975374     -4.7674368     11.6614298     0
 O        c
     -5.3584979      5.5885985      9.3763423     0
 C\_OO    c
     -6.1750278      6.4051284      9.9576736     0
 C        c
     -6.1750278      6.4051284     11.4311011     0
 C\_COO   c
     -5.3326215      5.5627221     12.1218294     0
 H        c
     -4.7674368      4.9975374     11.6614298     0
 O        c
      5.5885985      5.5885985     -9.1462416     0
 C\_OO    c
      6.4051284      6.4051284     -9.7275730     0
 C        c
      6.4051284      6.4051284    -11.2010005     0
 C\_COO   c
      5.5627221      5.5627221    -11.8917288     0
 H        c
      4.9975374      4.9975374    -11.4313292     0
 O        c
     -5.3584979     -5.3584979     -9.1462416     0
 C\_OO    c
     -6.1750278     -6.1750278     -9.7275730     0
 C        c
     -6.1750278     -6.1750278    -11.2010005     0
 C\_COO   c
     -5.3326215     -5.3326215    -11.8917288     0
 H        c
     -4.7674368     -4.7674368    -11.4313292     0
 Zn       c
      7.5165441     -7.2864435      7.5165441     0
 O        c
      7.2216583     -9.1462416      7.2216583     0
 C\_OO    c
      6.4051284     -9.7275730      6.4051284     0
 C        c
      6.4051284    -11.2010005      6.4051284     0
 C\_COO   c
      7.2475347    -11.8917288      7.2475347     0
 H        c
      7.8127193    -11.4313292      7.8127193     0
 Zn       c
     -7.2864435     -7.2864435     -7.2864435     0
 O        c
     -6.9915577     -9.1462416     -6.9915577     0
 C\_OO    c
     -6.1750278     -9.7275730     -6.1750278     0
 C        c
     -6.1750278    -11.2010005     -6.1750278     0
 C\_COO   c
     -7.0174341    -11.8917288     -7.0174341     0
 H        c
     -7.5826187    -11.4313292     -7.5826187     0
 Zn       c
     -7.2864435      7.5165441      7.5165441     0
 O        c
     -6.9915577      9.3763423      7.2216583     0
 C\_OO    c
     -6.1750278      9.9576736      6.4051284     0
 C        c
     -6.1750278     11.4311011      6.4051284     0
 C\_COO   c
     -7.0174341     12.1218294      7.2475347     0
 H        c
     -7.5826187     11.6614298      7.8127193     0
 Zn       c
      7.5165441      7.5165441     -7.2864435     0
 O        c
      7.2216583      9.3763423     -6.9915577     0
 C\_OO    c
      6.4051284      9.9576736     -6.1750278     0
 C        c
      6.4051284     11.4311011     -6.1750278     0
 C\_COO   c
      7.2475347     12.1218294     -7.0174341     0
 H        c
      7.8127193     11.6614298     -7.5826187     0
 O        c
     -6.9915577      7.2216583      9.3763423     0
 C\_COO   c
     -7.0174341      7.2475347     12.1218294     0
 H        c
     -7.5826187      7.8127193     11.6614298     0
 O        c
      7.2216583     -6.9915577      9.3763423     0
 C\_COO   c
      7.2475347     -7.0174341     12.1218294     0
 H        c
      7.8127193     -7.5826187     11.6614298     0
 O        c
      7.2216583      7.2216583     -9.1462416     0
 C\_COO   c
      7.2475347      7.2475347    -11.8917288     0
 H        c
      7.8127193      7.8127193    -11.4313292     0
 O        c
     -6.9915577     -6.9915577     -9.1462416     0
 C\_COO   c
     -7.0174341     -7.0174341    -11.8917288     0
 H        c
     -7.5826187     -7.5826187    -11.4313292     0
 O        c
     -5.3584979      9.3763423      5.5885985     0
 C\_COO   c
     -5.3326215     12.1218294      5.5627221     0
 H        c
     -4.7674368     11.6614298      4.9975374     0
 O        c
      5.5885985      9.3763423     -5.3584979     0
 C\_COO   c
      5.5627221     12.1218294     -5.3326215     0
 H        c
      4.9975374     11.6614298     -4.7674368     0
 O        c
     -5.3584979     -9.1462416     -5.3584979     0
 C\_COO   c
     -5.3326215    -11.8917288     -5.3326215     0
 H        c
     -4.7674368    -11.4313292     -4.7674368     0
 O        c
      5.5885985     -9.1462416      5.5885985     0
 C\_COO   c
      5.5627221    -11.8917288      5.5627221     0
 H        c
      4.9975374    -11.4313292      4.9975374     0
 O        c
     -5.3584979      5.5885985     -9.1462416     0
 C\_COO   c
     -5.3326215      5.5627221    -11.8917288     0
 H        c
     -4.7674368      4.9975374    -11.4313292     0
 O        c
      5.5885985     -5.3584979     -9.1462416     0
 C\_COO   c
      5.5627221     -5.3326215    -11.8917288     0
 H        c
      4.9975374     -4.7674368    -11.4313292     0
 O        c
     -5.3584979     -5.3584979      9.3763423     0
 C\_COO   c
     -5.3326215     -5.3326215     12.1218294     0
 H        c
     -4.7674368     -4.7674368     11.6614298     0
 O        c
      5.5885985      5.5885985      9.3763423     0
 C\_COO   c
      5.5627221      5.5627221     12.1218294     0
 H        c
      4.9975374      4.9975374     11.6614298     0
 O        c
     -6.9915577      9.3763423     -6.9915577     0
 C\_COO   c
     -7.0174341     12.1218294     -7.0174341     0
 H        c
     -7.5826187     11.6614298     -7.5826187     0
 O        c
      7.2216583      9.3763423      7.2216583     0
 C\_COO   c
      7.2475347     12.1218294      7.2475347     0
 H        c
      7.8127193     11.6614298      7.8127193     0
 O        c
      7.2216583     -9.1462416     -6.9915577     0
 C\_COO   c
      7.2475347    -11.8917288     -7.0174341     0
 H        c
      7.8127193    -11.4313292     -7.5826187     0
 O        c
     -6.9915577     -9.1462416      7.2216583     0
 C\_COO   c
     -7.0174341    -11.8917288      7.2475347     0
 H        c
     -7.5826187    -11.4313292      7.8127193     0
 O        c
     -9.1462416      7.2216583     -6.9915577     0
 C\_OO    c
     -9.7275730      6.4051284     -6.1750278     0
 C        c
    -11.2010005      6.4051284     -6.1750278     0
 C\_COO   c
    -11.8917288      7.2475347     -7.0174341     0
 H        c
    -11.4313292      7.8127193     -7.5826187     0
 O        c
     -9.1462416     -6.9915577      7.2216583     0
 C\_OO    c
     -9.7275730     -6.1750278      6.4051284     0
 C        c
    -11.2010005     -6.1750278      6.4051284     0
 C\_COO   c
    -11.8917288     -7.0174341      7.2475347     0
 H        c
    -11.4313292     -7.5826187      7.8127193     0
 O        c
      9.3763423     -6.9915577     -6.9915577     0
 C\_OO    c
      9.9576736     -6.1750278     -6.1750278     0
 C        c
     11.4311011     -6.1750278     -6.1750278     0
 C\_COO   c
     12.1218294     -7.0174341     -7.0174341     0
 H        c
     11.6614298     -7.5826187     -7.5826187     0
 O        c
      9.3763423      7.2216583      7.2216583     0
 C\_OO    c
      9.9576736      6.4051284      6.4051284     0
 C        c
     11.4311011      6.4051284      6.4051284     0
 C\_COO   c
     12.1218294      7.2475347      7.2475347     0
 H        c
     11.6614298      7.8127193      7.8127193     0
 O        c
     -9.1462416      5.5885985      5.5885985     0
 C\_OO    c
     -9.7275730      6.4051284      6.4051284     0
 C        c
    -11.2010005      6.4051284      6.4051284     0
 C\_COO   c
    -11.8917288      5.5627221      5.5627221     0
 H        c
    -11.4313292      4.9975374      4.9975374     0
 O        c
     -9.1462416     -5.3584979     -5.3584979     0
 C\_OO    c
     -9.7275730     -6.1750278     -6.1750278     0
 C        c
    -11.2010005     -6.1750278     -6.1750278     0
 C\_COO   c
    -11.8917288     -5.3326215     -5.3326215     0
 H        c
    -11.4313292     -4.7674368     -4.7674368     0
 O        c
      9.3763423      5.5885985     -5.3584979     0
 C\_OO    c
      9.9576736      6.4051284     -6.1750278     0
 C        c
     11.4311011      6.4051284     -6.1750278     0
 C\_COO   c
     12.1218294      5.5627221     -5.3326215     0
 H        c
     11.6614298      4.9975374     -4.7674368     0
 O        c
      9.3763423     -5.3584979      5.5885985     0
 C\_OO    c
      9.9576736     -6.1750278      6.4051284     0
 C        c
     11.4311011     -6.1750278      6.4051284     0
 C\_COO   c
     12.1218294     -5.3326215      5.5627221     0
 H        c
     11.6614298     -4.7674368      4.9975374     0
 O        c
      9.3763423     -6.9915577      7.2216583     0
 C\_COO   c
     12.1218294     -7.0174341      7.2475347     0
 H        c
     11.6614298     -7.5826187      7.8127193     0
 O        c
      9.3763423      7.2216583     -6.9915577     0
 C\_COO   c
     12.1218294      7.2475347     -7.0174341     0
 H        c
     11.6614298      7.8127193     -7.5826187     0
 O        c
     -9.1462416      7.2216583      7.2216583     0
 C\_COO   c
    -11.8917288      7.2475347      7.2475347     0
 H        c
    -11.4313292      7.8127193      7.8127193     0
 O        c
     -9.1462416     -6.9915577     -6.9915577     0
 C\_COO   c
    -11.8917288     -7.0174341     -7.0174341     0
 H        c
    -11.4313292     -7.5826187     -7.5826187     0
 O        c
      9.3763423     -5.3584979     -5.3584979     0
 C\_COO   c
     12.1218294     -5.3326215     -5.3326215     0
 H        c
     11.6614298     -4.7674368     -4.7674368     0
 O        c
      9.3763423      5.5885985      5.5885985     0
 C\_COO   c
     12.1218294      5.5627221      5.5627221     0
 H        c
     11.6614298      4.9975374      4.9975374     0
 O        c
     -9.1462416     -5.3584979      5.5885985     0
 C\_COO   c
    -11.8917288     -5.3326215      5.5627221     0
 H        c
    -11.4313292     -4.7674368      4.9975374     0
 O        c
     -9.1462416      5.5885985     -5.3584979     0
 C\_COO   c
    -11.8917288      5.5627221     -5.3326215     0
 H        c
    -11.4313292      4.9975374     -4.7674368     0
MOLECULE Nitrogen         3         3
 N        c
     -8.4994415      8.7486380     -3.5991647     0
 M        c
     -8.8977889      9.1257249     -3.5588561     0
 N        c
     -9.2961363      9.5028119     -3.5185474     0
MOLECULE Nitrogen         3         3
 N        c
     -3.3812895      9.9373858      9.5651964     0
 M        c
     -3.3165083      9.4553681      9.3083650     0
 N        c
     -3.2517271      8.9733504      9.0515337     0
MOLECULE Nitrogen         3         3
 N        c
     -2.2275948     11.6829654      6.9817917     0
 M        c
     -2.0261933     11.1919088      6.8375669     0
 N        c
     -1.8247917     10.7008522      6.6933421     0
MOLECULE Nitrogen         3         3
 N        c
     -8.4570902     -9.3710154      3.0787420     0
 M        c
     -8.9303833     -9.0912873      3.0630636     0
 N        c
     -9.4036764     -8.8115592      3.0473852     0
MOLECULE Nitrogen         3         3
 N        c
     -2.7469091     -8.8532211      9.1697301     0
 M        c
     -3.2616119     -8.8738018      9.3624929     0
 N        c
     -3.7763146     -8.8943824      9.5552557     0
MOLECULE Nitrogen         3         3
 N        c
      8.9419753      3.9172008     -8.3308980     0
 M        c
      9.2994658      3.5120030     -8.4334419     0
 N        c
      9.6569563      3.1068052     -8.5359859     0
MOLECULE Nitrogen         3         3
 N        c
     -3.4374013      8.8835816     -9.8801679     0
 M        c
     -3.4444814      8.8374963     -9.3321478     0
 N        c
     -3.4515614      8.7914110     -8.7841277     0
MOLECULE Nitrogen         3         3
 N        c
      9.4490295     -8.1121269     -3.2868127     0
 M        c
      9.9881878     -8.2207786     -3.2885785     0
 N        c
     10.5273462     -8.3294303     -3.2903442     0
MOLECULE Nitrogen         3         3
 N        c
      2.8278942      9.5691487     -8.2299736     0
 M        c
      2.3136432      9.3743992     -8.2408582     0
 N        c
      1.7993921      9.1796497     -8.2517428     0
MOLECULE Nitrogen         3         3
 N        c
      9.0086580     -3.8389744      8.4805438     0
 M        c
      8.9339999     -3.7284835      9.0141335     0
 N        c
      8.8593418     -3.6179926      9.5477231     0
MOLECULE Nitrogen         3         3
 N        c
     -3.4676463      3.9644849      3.8368301     0
 M        c
     -3.6173110      3.7444409      3.3554974     0
 N        c
     -3.7669756      3.5243968      2.8741647     0
MOLECULE Nitrogen         3         3
 N        c
     -8.8159433      3.7043184     -9.0375978     0
 M        c
     -9.2915648      3.6063367     -8.7793658     0
 N        c
     -9.7671862      3.5083549     -8.5211337     0
MOLECULE Nitrogen         3         3
 N        c
     -2.3063644     11.0090597     -6.2308024     0
 M        c
     -1.8799542     10.6905992     -6.3695731     0
 N        c
     -1.4535441     10.3721387     -6.5083439     0
MOLECULE Nitrogen         3         3
 N        c
      9.0229878     -3.7333861     -8.7864242     0
 M        c
      9.3962171     -3.3934769     -8.5681088     0
 N        c
      9.7694464     -3.0535676     -8.3497935     0
MOLECULE Nitrogen         3         3
 N        c
      2.2417781     -8.4059434      9.0073466     0
 M        c
      2.7839154     -8.4803940      8.9521717     0
 N        c
      3.3260526     -8.5548446      8.8969968     0
MOLECULE Nitrogen         3         3
 N        c
     -9.3962958     -3.4275943     -8.2385562     0
 M        c
     -9.8533845     -3.2823029     -8.5077409     0
 N        c
    -10.3104732     -3.1370115     -8.7769255     0
