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Copy pathCH4_O2.car
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CH4_O2.car
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!BIOSYM archive 3
PBC=ON
Materials Studio Generated CAR File
!DATE Mon May 24 19:02:47 2021
PBC 10.9947 10.9947 10.9947 90.0000 90.0000 90.0000 (P1)
C1 0.922919746 7.579010593 7.271085207 R1 1 c C -0.400
H1 0.074929887 6.877756605 7.169446235 R1 1 h H 0.100
H2 1.717901404 7.304135020 6.554925262 R1 1 h H 0.100
H3 1.321232239 7.526871330 8.300984601 R1 1 h H 0.100
H4 0.575123810 8.606988176 7.060734981 R1 1 h H 0.100
end
C1 6.360485686 4.408576224 4.736758433 R1 2 c C -0.400
H1 5.730034568 3.577795919 5.100811255 R1 2 h H 0.100
H2 5.906822224 5.371635818 5.032939183 R1 2 h H 0.100
H3 6.434980988 4.361306275 3.635624151 R1 2 h H 0.100
H4 7.370247786 4.326747457 5.178458441 R1 2 h H 0.100
end
C1 8.032056211 9.669434254 5.420885247 R1 3 c C -0.400
H1 8.909249806 9.561668916 6.084287829 R1 3 h H 0.100
H2 7.706458815 10.725450197 5.407596503 R1 3 h H 0.100
H3 7.208599201 9.035361536 5.797130325 R1 3 h H 0.100
H4 8.301088341 9.352789443 4.396330687 R1 3 h H 0.100
end
C1 10.729247127 3.920946061 6.665100361 R1 4 c C -0.400
H1 11.425905897 4.181690421 7.482088977 R1 4 h H 0.100
H2 11.054923966 4.417848204 5.732869567 R1 4 h H 0.100
H3 9.710311238 4.259032172 6.927295163 R1 4 h H 0.100
H4 10.727773674 2.825714037 6.517495258 R1 4 h H 0.100
end
C1 5.296470144 2.161215072 9.916282492 R1 5 c C -0.400
H1 4.438912835 2.105886638 10.610719658 R1 5 h H 0.100
H2 4.962256465 1.892229467 8.898257785 R1 5 h H 0.100
H3 6.082181987 1.455977559 10.243077182 R1 5 h H 0.100
H4 5.700169115 3.189993347 9.911362772 R1 5 h H 0.100
end
C1 1.882630822 0.629915122 8.143224430 R1 6 c C -0.400
H1 0.877070590 0.723204066 8.592658368 R1 6 h H 0.100
H2 2.626781968 0.452274686 8.940598669 R1 6 h H 0.100
H3 2.133930216 1.563379375 7.607701744 R1 6 h H 0.100
H4 1.894723296 -0.216356102 7.432693895 R1 6 h H 0.100
end
C1 5.707287484 0.716045539 2.779262039 R1 7 c C -0.400
H1 5.385256893 -0.056115216 3.501047012 R1 7 h H 0.100
H2 4.941824529 0.826980465 1.990369255 R1 7 h H 0.100
H3 6.665279379 0.411423429 2.322609552 R1 7 h H 0.100
H4 5.837344707 1.678376250 3.305287462 R1 7 h H 0.100
end
C1 9.456699860 6.115139209 -0.769281055 R1 8 c C -0.400
H1 9.484529500 5.304657288 -1.519836829 R1 8 h H 0.100
H2 8.784251901 6.919092944 -1.118099689 R1 8 h H 0.100
H3 10.474531157 6.522053211 -0.630379782 R1 8 h H 0.100
H4 9.085669655 5.717008711 0.192366344 R1 8 h H 0.100
end
C1 9.968287107 2.132658066 -0.130705855 R1 9 c C -0.400
H1 10.054656895 1.072040141 -0.426715994 R1 9 h H 0.100
H2 9.992093031 2.769386575 -1.033669224 R1 9 h H 0.100
H3 10.813445229 2.400893346 0.529590468 R1 9 h H 0.100
H4 9.015316421 2.289136043 0.406568663 R1 9 h H 0.100
end
C1 2.291835840 2.001726470 4.291792434 R1 10 c C -0.400
H1 1.481331798 2.022930948 3.541266689 R1 10 h H 0.100
H2 2.357084995 0.992457533 4.736886875 R1 10 h H 0.100
H3 2.080935761 2.741572568 5.084339434 R1 10 h H 0.100
H4 3.252013633 2.250742321 3.804932520 R1 10 h H 0.100
end
O1 4.741710487 6.195295366 9.916725597 R1 11 o O 0.000
O2 5.612150282 6.443058834 10.717035032 R1 11 o O 0.000
end
O1 2.293075764 11.829178385 0.874989866 R1 12 o O 0.000
O2 1.599468906 10.845141941 0.781305690 R1 12 o O 0.000
end
O1 6.800124272 -2.179514507 9.063623870 R1 13 o O 0.000
O2 6.693411808 -1.086193902 8.562563818 R1 13 o O 0.000
end
O1 2.637106640 7.104497677 1.147426563 R1 14 o O 0.000
O2 2.199878929 7.592785357 0.133032783 R1 14 o O 0.000
end
O1 3.768186758 3.859553676 7.098401146 R1 15 o O 0.000
O2 3.402910987 4.989501751 7.318158066 R1 15 o O 0.000
end
O1 13.003345618 6.163232153 4.106119196 R1 16 o O 0.000
O2 14.064062785 5.612456370 4.279247702 R1 16 o O 0.000
end
O1 4.733666000 7.664825052 6.259445790 R1 17 o O 0.000
O2 4.386216144 7.939333110 7.383483386 R1 17 o O 0.000
end
O1 5.032580215 0.981148786 6.245163067 R1 18 o O 0.000
O2 4.711367718 -0.182626411 6.271875322 R1 18 o O 0.000
end
O1 8.492441018 1.331535319 7.813302431 R1 19 o O 0.000
O2 7.681855737 2.111798687 7.373244238 R1 19 o O 0.000
end
O1 4.384789272 4.329126646 1.675021211 R1 20 o O 0.000
O2 3.232994048 3.977081902 1.586210679 R1 20 o O 0.000
end
O1 7.913114559 6.550720837 7.120393303 R1 21 o O 0.000
O2 6.971911387 6.042021613 7.682296335 R1 21 o O 0.000
end
O1 5.263774876 7.168121162 2.739565235 R1 22 o O 0.000
O2 5.811282902 8.046628146 3.361187717 R1 22 o O 0.000
end
O1 3.013053925 9.500249245 3.144331357 R1 23 o O 0.000
O2 2.837071148 9.065786248 4.257674894 R1 23 o O 0.000
end
O1 4.809951477 9.352565754 0.506727121 R1 24 o O 0.000
O2 4.268383869 9.748530826 -0.497506354 R1 24 o O 0.000
end
O1 -0.176681630 -2.802661178 1.897715839 R1 25 o O 0.000
O2 -0.079659224 -2.003028091 2.797702853 R1 25 o O 0.000
end
O1 1.945590941 3.593493483 9.839551341 R1 26 o O 0.000
O2 1.823870112 4.789968928 9.946549530 R1 26 o O 0.000
end
O1 11.376726831 5.072873009 1.790925867 R1 27 o O 0.000
O2 10.964255530 4.334192606 2.653044108 R1 27 o O 0.000
end
O1 10.632662848 9.358210332 9.911023488 R1 28 o O 0.000
O2 9.793140472 9.651249450 9.093548397 R1 28 o O 0.000
end
O1 7.846225902 -2.442736446 1.043665789 R1 29 o O 0.000
O2 8.170140531 -1.305340965 0.798299298 R1 29 o O 0.000
end
O1 9.597245741 6.576325036 4.394896212 R1 30 o O 0.000
O2 8.717695127 6.618450439 3.567550696 R1 30 o O 0.000
end
end