No title
    1.0
            16.29607446 0.00000000 0.00000000 
            0.00000000 16.29607446 0.00000000 
            0.00000000 0.00000000 16.29607446 
  C H N O
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        0.83376971 0.26031187 0.32695462      	#	237    	Untitled_1::H23
        0.82730095 0.37298490 0.43618642      	#	238    	Untitled_1::H24
        0.88880415 0.22712274 0.68880769      	#	239    	Untitled_1::H26
        0.83316339 0.48439739 0.70204224      	#	240    	Untitled_1::H27
        0.15103412 0.65378595 0.94802314      	#	241    	Untitled_1::H37
        0.18672673 0.69166907 0.04392755      	#	242    	Untitled_1::H38
        0.27498369 0.81724631 0.04853345      	#	243    	Untitled_1::H39
        0.25676298 0.64592232 0.97377489      	#	244    	Untitled_1::H40
        0.30079615 0.86911355 0.95603012      	#	245    	Untitled_1::H41
        0.34428461 0.77138388 0.97787485      	#	246    	Untitled_1::H42
        0.85179453 0.12507726 0.96107747      	#	247    	Untitled_1::H29
        0.81949887 0.47252343 0.85282811      	#	248    	H_head
        0.47711972 0.37862840 0.40404788      	#	249    	H_tail
        0.16178100 0.35231028 0.05232394      	#	250    	Untitled_1::H1
        0.10916911 0.51227337 0.79431652      	#	251    	Untitled_1::H2
        0.21094061 0.29622497 0.91616991      	#	252    	Untitled_1::H3
        0.17856933 0.10559394 0.86975224      	#	253    	Untitled_1::H4
        0.13732081 0.25204235 0.86718387      	#	254    	Untitled_1::H5
        0.31046203 0.29682582 0.67210368      	#	255    	Untitled_1::H6
        0.35021041 0.14924829 0.67301389      	#	256    	Untitled_1::H7
        0.43810981 0.84332593 0.61157359      	#	257    	Untitled_1::H8
        0.31466898 0.88643606 0.68762368      	#	258    	Untitled_1::H9
        0.42583318 0.12105495 0.73848444      	#	259    	Untitled_1::H10
        0.55230195 0.07595872 0.66409669      	#	260    	Untitled_1::H11
        0.58792762 0.67008975 0.72272556      	#	261    	Untitled_1::H12
        0.57666268 0.82305322 0.72326217      	#	262    	Untitled_1::H13
        0.58043275 0.82447636 0.45672682      	#	263    	Untitled_1::H14
        0.63555245 0.28504057 0.45130721      	#	264    	Untitled_1::H21
        0.62186715 0.40931869 0.53947083      	#	265    	Untitled_1::H22
        0.63959346 0.56154408 0.32311793      	#	266    	Untitled_1::H23
        0.64884076 0.43912373 0.23465807      	#	267    	Untitled_1::H24
        0.60815898 0.21290408 0.43381842      	#	268    	Untitled_1::H26
        0.74652194 0.17094025 0.21406251      	#	269    	Untitled_1::H27
        0.35097200 0.03311938 0.88782754      	#	270    	Untitled_1::H37
        0.31123719 0.93377917 0.86445723      	#	271    	Untitled_1::H38
        0.22776566 0.91267009 0.73824711      	#	272    	Untitled_1::H39
        0.24399287 0.01315934 0.89679875      	#	273    	Untitled_1::H40
        0.20486348 0.99639075 0.67216246      	#	274    	Untitled_1::H41
        0.15913679 0.99069808 0.77111889      	#	275    	Untitled_1::H42
        0.66755073 0.98245242 0.59816604      	#	276    	Untitled_1::H29
        0.73519131 0.01978858 0.23996435      	#	277    	H_head
        0.01182663 0.63412545 0.07208111      	#	278    	H_tail
        0.21626784 0.04632542 0.55696566      	#	279    	Untitled_1::H1
        0.16781623 0.33763362 0.47390284      	#	280    	Untitled_1::H2
        0.28450684 0.10730535 0.43283070      	#	281    	Untitled_1::H3
        0.29662439 0.03040383 0.24706748      	#	282    	Untitled_1::H4
        0.23010478 0.12245833 0.34282078      	#	283    	Untitled_1::H5
        0.41580507 0.30488698 0.29792946      	#	284    	Untitled_1::H6
        0.48037083 0.21206410 0.19305783      	#	285    	Untitled_1::H7
        0.62308876 0.02463133 0.94444982      	#	286    	Untitled_1::H8
        0.47927721 0.01449974 0.99692419      	#	287    	Untitled_1::H9
        0.54577065 0.15926898 0.20517220      	#	288    	Untitled_1::H10
        0.68983657 0.15757429 0.15850013      	#	289    	Untitled_1::H11
        0.77286409 0.81716752 0.90454716      	#	290    	Untitled_1::H12
        0.73616206 0.89998001 0.02406517      	#	291    	Untitled_1::H13
        0.81005487 0.12098369 0.88333762      	#	292    	Untitled_1::H14
        0.88188434 0.78879639 0.47149242      	#	293    	Untitled_1::H21
        0.84910170 0.82069875 0.61579018      	#	294    	Untitled_1::H22
        0.96093585 0.05047700 0.60293219      	#	295    	Untitled_1::H23
        0.99230409 0.02626036 0.45622406      	#	296    	Untitled_1::H24
        0.89727839 0.74102371 0.40292849      	#	297    	Untitled_1::H26
        0.01594737 0.88043213 0.21446551      	#	298    	Untitled_1::H27
        0.46159734 0.97993895 0.25957647      	#	299    	Untitled_1::H37
        0.45219019 0.92232318 0.17027566      	#	300    	Untitled_1::H38
        0.38208193 0.99847455 0.03893925      	#	301    	Untitled_1::H39
        0.36340585 0.95336861 0.22264541      	#	302    	Untitled_1::H40
        0.36024044 0.10503683 0.04721845      	#	303    	Untitled_1::H41
        0.30093743 0.03269636 0.10333105      	#	304    	Untitled_1::H42
        0.89660702 0.46965678 0.27212135      	#	305    	Untitled_1::H29
        0.02489035 0.75676696 0.12854076      	#	306    	H_head
        0.06622085 0.23217248 0.76579202      	#	307    	H_tail
        0.66961037 0.86685071 0.51463834      	#	308    	Untitled_1::H1
        0.62993997 0.91210995 0.21302826      	#	309    	Untitled_1::H2
        0.72926477 0.76566072 0.41379167      	#	310    	Untitled_1::H3
        0.69661270 0.58248894 0.45686714      	#	311    	Untitled_1::H4
        0.66291668 0.71612821 0.39297496      	#	312    	Untitled_1::H5
        0.81350340 0.65421182 0.18560717      	#	313    	Untitled_1::H6
        0.83905928 0.51798208 0.24536018      	#	314    	Untitled_1::H7
        0.91454257 0.22342365 0.32247466      	#	315    	Untitled_1::H8
        0.79164358 0.31000082 0.36429268      	#	316    	Untitled_1::H9
        0.94208518 0.51850194 0.37127090      	#	317    	Untitled_1::H10
        0.04665984 0.44401198 0.28977828      	#	318    	Untitled_1::H11
        0.04990102 0.09776459 0.50651951      	#	319    	Untitled_1::H12
        0.03989599 0.23923290 0.44252159      	#	320    	Untitled_1::H13
        0.08734779 0.13024025 0.20183171      	#	321    	Untitled_1::H14
        0.09174348 0.63143022 0.42252219      	#	322    	Untitled_1::H21
        0.08636522 0.78107945 0.45008181      	#	323    	Untitled_1::H22
        0.13978346 0.82666056 0.19639506      	#	324    	Untitled_1::H23
        0.14275226 0.67878563 0.16902123      	#	325    	Untitled_1::H24
        0.06446191 0.55914795 0.43316828      	#	326    	Untitled_1::H26
        0.15152609 0.40186374 0.24112446      	#	327    	Untitled_1::H27
        0.84023520 0.50513971 0.50091052      	#	328    	Untitled_1::H37
        0.79732424 0.40787439 0.51629207      	#	329    	Untitled_1::H38
        0.72644008 0.34252222 0.40860472      	#	330    	Untitled_1::H39
        0.73265687 0.49537799 0.50936448      	#	331    	Untitled_1::H40
        0.71898832 0.38707363 0.30900656      	#	332    	Untitled_1::H41
        0.66105731 0.42546236 0.39211264      	#	333    	Untitled_1::H42
        0.03137156 0.38574792 0.66763229      	#	334    	Untitled_1::H29
        0.14143735 0.28339246 0.33472555      	#	335    	H_head
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        0.52622611 0.86760234 0.76885631      	#	337    	Untitled_1::H1
        0.70948094 0.11461845 0.76331789      	#	338    	Untitled_1::H2
        0.67475881 0.85112263 0.72436893      	#	339    	Untitled_1::H3
        0.74080266 0.73195990 0.56332383      	#	340    	Untitled_1::H4
        0.69542212 0.86534183 0.62326380      	#	341    	Untitled_1::H5
        0.93898629 0.89233476 0.73227848      	#	342    	Untitled_1::H6
        0.98193199 0.76114891 0.67144041      	#	343    	Untitled_1::H7
        0.14168358 0.54711111 0.51654270      	#	344    	Untitled_1::H8
        0.00527603 0.59930889 0.47934989      	#	345    	Untitled_1::H9
        0.96082133 0.67147410 0.72842705      	#	346    	Untitled_1::H10
        0.10051029 0.61921288 0.76732162      	#	347    	Untitled_1::H11
        0.12878681 0.31131418 0.54117766      	#	348    	Untitled_1::H12
        0.10824084 0.43900269 0.61771614      	#	349    	Untitled_1::H13
        0.34166186 0.52702000 0.55581771      	#	350    	Untitled_1::H14
        0.46790758 0.07844223 0.26816630      	#	351    	Untitled_1::H21
        0.36839817 0.14101988 0.36336547      	#	352    	Untitled_1::H22
        0.53988074 0.32209863 0.43396910      	#	353    	Untitled_1::H23
        0.64443540 0.26261071 0.35541393      	#	354    	Untitled_1::H24
        0.49098218 0.02997067 0.20307822      	#	355    	Untitled_1::H26
        0.74780141 0.06079183 0.15979386      	#	356    	Untitled_1::H27
        0.82067852 0.59611940 0.65387610      	#	357    	Untitled_1::H37
        0.84643064 0.54730604 0.56324850      	#	358    	Untitled_1::H38
        0.91718152 0.62734792 0.44940867      	#	359    	Untitled_1::H39
        0.76979855 0.62299989 0.56166668      	#	360    	Untitled_1::H40
        0.94829590 0.72941141 0.47130655      	#	361    	Untitled_1::H41
        0.84166359 0.70544714 0.45691133      	#	362    	Untitled_1::H42
        0.42601295 0.77651392 0.08240022      	#	363    	Untitled_1::H29
        0.73580694 0.97086380 0.04549201      	#	364    	H_head
        0.40280844 0.14651145 0.85026621      	#	365    	H_tail
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        0.87948045 0.11853949 0.34351782      	#	367    	Untitled_1::N2
        0.04068035 0.58672375 0.03718580      	#	368    	Untitled_1::N1
        0.60978369 0.56717109 0.48336975      	#	369    	Untitled_1::N2
        0.09919814 0.22305020 0.70993240      	#	370    	Untitled_1::N1
        0.87497723 0.94797279 0.70431169      	#	371    	Untitled_1::N2
        0.54791925 0.07231640 0.40482410      	#	372    	Untitled_1::N1
        0.09668783 0.90349905 0.33422205      	#	373    	Untitled_1::N2
        0.45380553 0.11030432 0.83021844      	#	374    	Untitled_1::N1
        0.39287490 0.28276286 0.44491674      	#	375    	Untitled_1::N2
        0.45141161 0.33870206 0.59064523      	#	376    	Untitled_1::O1
        0.45685374 0.55319771 0.34573870      	#	377    	Untitled_1::O2
        0.31828351 0.72879901 0.60364498      	#	378    	Untitled_1::O3
        0.92995245 0.97042864 0.99738660      	#	379    	Untitled_1::O4
        0.88225855 0.97691248 0.41855839      	#	380    	Untitled_1::O5
        0.87872248 0.23132831 0.22210507      	#	381    	Untitled_1::O6
        0.87274882 0.36866528 0.59217552      	#	382    	Untitled_1::O7
        0.89448047 0.12450453 0.81113627      	#	383    	Untitled_1::O8
        0.84772764 0.18628810 0.94177828      	#	384    	Untitled_1::O9
        0.08143037 0.48239159 0.15797588      	#	385    	Untitled_1::O1
        0.02530824 0.64926361 0.88561276      	#	386    	Untitled_1::O2
        0.19313767 0.37081534 0.76316764      	#	387    	Untitled_1::O3
        0.57767236 0.92783777 0.58994098      	#	388    	Untitled_1::O4
        0.61575981 0.50870868 0.63713531      	#	389    	Untitled_1::O5
        0.59455736 0.67072697 0.35773554      	#	390    	Untitled_1::O6
        0.63590450 0.27989382 0.27523133      	#	391    	Untitled_1::O7
        0.61783795 0.12588287 0.56247181      	#	392    	Untitled_1::O8
        0.66986605 0.98565457 0.53426799      	#	393    	Untitled_1::O9
        0.10851422 0.05973580 0.70795482      	#	394    	Untitled_1::O1
        0.12231777 0.37661152 0.66748214      	#	395    	Untitled_1::O2
        0.26430500 0.27683432 0.37286593      	#	396    	Untitled_1::O3
        0.75660397 0.07786487 0.03424999      	#	397    	Untitled_1::O4
        0.83844456 0.79006221 0.74505943      	#	398    	Untitled_1::O5
        0.89700186 0.10798044 0.71900833      	#	399    	Untitled_1::O6
        0.94540540 0.90327953 0.35840877      	#	400    	Untitled_1::O7
        0.86530002 0.57796188 0.39261402      	#	401    	Untitled_1::O8
        0.94204552 0.51497354 0.27447096      	#	402    	Untitled_1::O9
        0.57165118 0.02008476 0.55769787      	#	403    	Untitled_1::O1
        0.55082288 0.07686087 0.24336576      	#	404    	Untitled_1::O2
        0.71385404 0.77142056 0.24389756      	#	405    	Untitled_1::O3
        0.06259397 0.27910103 0.27649871      	#	406    	Untitled_1::O4
        0.07445727 0.91252423 0.49702665      	#	407    	Untitled_1::O5
        0.11530728 0.95026909 0.17794885      	#	408    	Untitled_1::O6
        0.10479176 0.55570223 0.26503080      	#	409    	Untitled_1::O7
        0.02014542 0.51508676 0.58178436      	#	410    	Untitled_1::O8
        0.03776261 0.36683263 0.60629235      	#	411    	Untitled_1::O9
        0.38305337 0.96235153 0.81848873      	#	412    	Untitled_1::O1
        0.57082404 0.22608790 0.82244957      	#	413    	Untitled_1::O2
        0.79005198 0.97585596 0.70948192      	#	414    	Untitled_1::O3
        0.21474039 0.55238285 0.66082719      	#	415    	Untitled_1::O4
        0.27327038 0.18953245 0.40228505      	#	416    	Untitled_1::O5
        0.50582833 0.38317944 0.50220381      	#	417    	Untitled_1::O6
        0.63018103 0.13549690 0.23956933      	#	418    	Untitled_1::O7
        0.38796369 0.93364086 0.10967507      	#	419    	Untitled_1::O8
        0.46519583 0.81752056 0.05041306      	#	420    	Untitled_1::O9