#MD System 2.0

@Title type II Duvernay C_v4-rev2-MOPAC-job1102-initial

@Columns Atom
	AtomicNumber	int	0
	Coordinates	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Point	int	1
	Selection	int	0
@end
@data
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1 {-18.5161121853 -4.96462214808 13.1064013894} H280 1 0
6 {8.40016221448 0.984600604139 -1.89517285355} C256 1 0
6 {8.93870892855 0.357920803361 -3.10152326853} C257 1 0
6 {-2.23963523656 4.21776966263 5.6105080665} C267 1 0
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6 {3.71059307789 -1.89710761803 0.614716061782} C269 1 0
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6 {12.2407804983 -10.0067394185 -9.7576821701} C270 1 0
1 {12.1665414746 -8.12542692726 -8.67702487472} H222 1 0
6 {8.41668053787 -14.8359214896 -8.58621726382} C271 1 0
6 {9.37333042391 -15.8996799489 -8.02744890302} C272 1 0
6 {9.25836638009 -17.1772820775 -8.87755312752} C273 1 0
1 {8.73534507725 -16.9479706107 -9.8073475796} H238 1 0
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1 {10.3973937633 -15.5268151479 -8.0633413385} H251 1 0
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1 {-0.245033254535 -4.0843934268 0.21278297336} H292 1 0
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1 {4.9043918519 -3.96834959602 -2.77649829187} H297 1 0
1 {7.78539173183 -3.81479698085 -2.28252822663} H302 1 0
1 {6.91180327721 -3.94226516196 -0.746321023591} H303 1 0
1 {6.97621971476 -6.18226950507 -1.20221062692} H304 1 0
1 {7.2014967898 -5.92171675451 -2.94637229039} H305 1 0
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6 {0.681124827736 17.3794251062 2.93718215416} C276 1 0
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1 {-4.07127276119 17.3295560637 3.2353598319} H306 1 0
1 {13.2650092572 9.48656002873 -4.32388897153} H311 1 0
1 {7.43997128109 -5.76784857799 -6.13652888217} H313 1 0
1 {-2.33210570511 -12.6669675338 -2.24383917472} H314 1 0
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6 {10.2246568566 0.913244295232 -3.76400146484} C275 1 0
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1 {10.8670761528 0.097867054932 -4.08776697628} H327 1 0
6 {9.97841140111 -3.35783106746 -3.75038512643} C277 1 0
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1 {8.22629334886 -3.44063633136 -6.19081569726} H328 1 0
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1 {7.92555738758 -3.95807553261 -3.9510328785} H335 1 0
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1 {10.7836547271 -1.39331185057 -4.14739981617} H337 1 0
6 {10.8427001968 3.98310325373 -1.82677431576} C231 1 0
6 {12.2113915851 2.38922203246 -3.17359249971} C232 1 0
6 {12.2123172706 3.81358939273 -2.54542441739} C234 1 0
1 {10.3898320023 4.93572020078 -2.10093641514} H240 1 0
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1 {13.0677790519 1.819890556 -2.80886983624} H243 1 0
1 {13.0256623759 3.90488115071 -1.82539966914} H245 1 0
8 {13.216053132 6.40491627293 -1.85507948852} O11 1 0
1 {13.1494919851 6.75610242976 -5.34935090728} H244 1 0
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6 {13.7563843055 -10.6092696993 -11.6396457182} C281 1 0
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8 {10.37414524 -7.21136619055 -6.92131544318} O12 1 0
6 {-2.39585536596 1.48509271023 4.80048453666} C282 1 0
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6 {-7.69797597203 5.97703024824 8.88429748746} C283 1 0
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6 {9.37032363606 -6.7029455229 -5.83776211195} C284 1 0
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8 {10.7587285917 -2.49336240672 -5.95557404869} O17 1 0
1 {10.2705040558 -18.0708725601 -14.0901650453} H283 1 0
6 {-0.84574109442 -4.26185682716 2.2475584671} C278 1 0
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6 {-2.20314684492 -4.75281694045 1.89434199186} C286 1 0
6 {-3.11367749965 -4.08192091776 2.92347457223} C287 1 0
6 {-2.46330416958 -2.65408477873 3.07835300929} C288 1 0
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1 {3.89953304068 18.5368698662 3.12193762666} H290 1 0
1 {2.32729981963 18.9024334696 2.37494317702} H312 1 0
1 {3.74738836458 18.5932835029 1.35094405969} H340 1 0
8 {-2.85379281519 0.158068837273 4.3500106377} O14 1 0
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6 {7.73837350792 10.7167410596 0.829489809863} C293 1 0
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6 {-5.60469642776 -8.8586007567 3.06256171258} C294 1 0
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6 {6.25903444324 -2.44493732281 -3.59700455626} C297 1 0
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1 {6.87019029261 -3.06768144477 -4.24267286681} H287 1 0
6 {-11.2673891504 -3.8791520546 8.90887896562} C298 1 0
6 {-10.3295548291 -2.67228118332 9.16818737885} C299 1 0
1 {-12.1527088703 -3.54660347811 8.36427386736} H229 1 0
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6 {10.0582272712 -15.2083605296 -10.6926115426} C300 1 0
1 {9.76719417897 -15.7233337735 -9.77983690854} H261 1 0
1 {9.1896008039 -15.1138352056 -11.3449945714} H272 1 0
6 {8.46945166759 -7.93823664483 -5.44233735909} C301 1 0
1 {7.423859842 -7.73730970137 -5.67608838392} H233 1 0
1 {8.58994409476 -8.18355711989 -4.38872321412} H255 1 0
1 {-15.9196891828 -5.14219386477 15.3496992937} H309 1 0
8 {-5.63802574112 19.6815489932 4.25550498212} O15 1 0
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1 {-5.90236163793 19.2276970798 5.16256326081} H234 1 0
6 {-0.978254125545 6.28728332569 5.56450376763} C302 1 0
1 {0.521206908453 3.93610276913 3.61060972584} H307 1 0
6 {0.097390580352 -4.57736451771 1.12188980099} C303 1 0
6 {4.39086079296 -5.6263467548 -1.04051608829} C304 1 0
1 {5.55845491085 -3.91236706634 -0.411586530978} H316 1 0
1 {4.13534462608 -3.43076363587 1.57365532793} H318 1 0
1 {2.11548759424 -4.81229216149 1.99754966626} H321 1 0
@end
@Columns Bond
	Atom1	reference	Atom
	Atom2	reference	Atom
	Key	int	0
	Order	int	0
@end
@data
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