Add xyz files to be used in future tests (#164)

tools/generate-unit-test-expect/IRC/Exo/Exo-07.xyz

+19
+ comment:c
+C -0.8016790 -0.6528470 -0.6712140
+C -0.8016800 -0.6528460 0.6712130
+C 1.5725210 -0.6480840 1.4673040
+C 1.9541260 -1.7025310 0.7235470
+C 1.9541270 -1.7025310 -0.7235430
+C 1.5725240 -0.6480850 -1.4673010
+H 1.5035160 0.3522200 1.0506620
+H 2.1288199 -2.6571569 1.2168970
+H 2.1288230 -2.6571579 -1.2168920
+H 1.5035180 0.3522200 -1.0506610
+H 1.4606130 -0.7158200 2.5455060
+H 1.4606180 -0.7158230 -2.5455041
+H -0.8917260 -1.4825370 1.3556590
+H -0.8917240 -1.4825380 -1.3556590
+C -0.9670150 0.7509920 -1.1273630
+O -1.0917810 1.1941290 -2.2294681
+C -0.9670160 0.7509930 1.1273611
+O -1.0917810 1.1941310 2.2294660
+O -0.9836390 1.5590150 -0.0000010

tools/generate-unit-test-expect/IRC/Exo/Exo-08.xyz

+19
+ comment:c
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+C -0.8226290 -0.6541000 0.6698390
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+C 1.9557170 -1.7027740 0.7254600
+C 1.9557190 -1.7027740 -0.7254560
+C 1.5909660 -0.6479620 -1.4736280
+H 1.5077440 0.3510830 1.0561500
+H 2.1299450 -2.6587441 1.2165070
+H 2.1299479 -2.6587451 -1.2165020
+H 1.5077450 0.3510820 -1.0561490
+H 1.4868200 -0.7168340 2.5525279
+H 1.4868259 -0.7168360 -2.5525260
+H -0.8955050 -1.4832799 1.3569810
+H -0.8955030 -1.4832810 -1.3569820
+C -0.9715460 0.7515610 -1.1270040
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+C -0.9715460 0.7515610 1.1270020
+O -1.0898770 1.1945050 2.2297440
+O -0.9827750 1.5600390 -0.0000010

tools/generate-unit-test-expect/IRC/Exo/Exo-09.xyz

+19
+ comment:c
+C -0.8435130 -0.6553030 -0.6687700
+C -0.8435140 -0.6553020 0.6687690
+C 1.6091790 -0.6478780 1.4797720
+C 1.9576120 -1.7030810 0.7270880
+C 1.9576130 -1.7030810 -0.7270840
+C 1.6091820 -0.6478800 -1.4797690
+H 1.5140280 0.3504640 1.0627270
+H 2.1317000 -2.6602981 1.2158980
+H 2.1317029 -2.6602991 -1.2158930
+H 1.5140300 0.3504630 -1.0627249
+H 1.5140589 -0.7182780 2.5594039
+H 1.5140640 -0.7182800 -2.5594020
+H -0.9022170 -1.4839610 1.3580170
+H -0.9022150 -1.4839610 -1.3580180
+C -0.9764370 0.7520810 -1.1267110
+O -1.0878071 1.1950181 -2.2300520
+C -0.9764380 0.7520820 1.1267090
+O -1.0878071 1.1950190 2.2300501
+O -0.9820140 1.5609130 -0.0000010

tools/generate-unit-test-expect/IRC/Exo/Exo-10.xyz

+19
+ comment:c
+C -0.8643260 -0.6564220 -0.6679270
+C -0.8643270 -0.6564220 0.6679260
+C 1.6271880 -0.6478800 1.4857301
+C 1.9598060 -1.7034010 0.7284750
+C 1.9598070 -1.7034010 -0.7284710
+C 1.6271909 -0.6478810 -1.4857280
+H 1.5221480 0.3502730 1.0701030
+H 2.1338351 -2.6618340 1.2150710
+H 2.1338379 -2.6618350 -1.2150660
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+H -0.9116290 -1.4845949 1.3588080
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+O -1.0855800 1.1956590 -2.2303641
+C -0.9816070 0.7525580 1.1264740
+O -1.0855809 1.1956600 2.2303619
+O -0.9814050 1.5616230 -0.0000010

tools/generate-unit-test-expect/IRC/Exo/Exo-11.xyz

+19
+ comment:c
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+C -0.8851080 -0.6574350 0.6672510
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+C 1.9622900 -1.7037510 0.7296760
+C 1.9622910 -1.7037520 -0.7296720
+C 1.6450490 -0.6479470 -1.4914060
+H 1.5319580 0.3501790 1.0771960
+H 2.1361411 -2.6634190 1.2140460
+H 2.1361439 -2.6634200 -1.2140410
+H 1.5319591 0.3501780 -1.0771950
+H 1.5697540 -0.7223720 2.5723391
+H 1.5697590 -0.7223740 -2.5723360
+H -0.9234880 -1.4851950 1.3593940
+H -0.9234860 -1.4851960 -1.3593950
+C -0.9869720 0.7529980 -1.1262920
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+C -0.9869730 0.7529990 1.1262900
+O -1.0832080 1.1964070 2.2306659
+O -0.9809870 1.5621700 -0.0000010

tools/generate-unit-test-expect/IRC/Exo/Exo-12.xyz

+19
+ comment:c
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+H -0.9376100 -1.4857650 1.3598360
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+C -0.9924940 0.7534150 1.1261510
+O -1.0806830 1.1972400 2.2309530
+O -0.9807830 1.5625620 -0.0000010

tools/generate-unit-test-expect/IRC/Exo/Exo-13.xyz

+19
+ comment:c
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+C -0.9267210 -0.6590940 0.6663130
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+C 1.9682530 -1.7047280 0.7316140
+C 1.9682540 -1.7047280 -0.7316100
+C 1.6803401 -0.6481630 -1.5014260
+H 1.5555060 0.3505310 1.0908180
+H 2.1408610 -2.6668420 1.2118310
+H 2.1408639 -2.6668429 -1.2118260
+H 1.5555080 0.3505300 -1.0908160
+H 1.6247110 -0.7264880 2.5832701
+H 1.6247160 -0.7264900 -2.5832679
+H -0.9537480 -1.4862890 1.3601710
+H -0.9537470 -1.4862890 -1.3601720
+C -0.9981210 0.7538140 -1.1260530
+O -1.0780030 1.1981330 -2.2312210
+C -0.9981220 0.7538150 1.1260509
+O -1.0780030 1.1981339 2.2312191
+O -0.9808050 1.5628120 -0.0000010

tools/generate-unit-test-expect/IRC/Exo/Exo-14.xyz

+19
+ comment:c
+C -0.9475860 -0.6597440 -0.6659840
+C -0.9475870 -0.6597440 0.6659830
+C 1.6977119 -0.6483160 1.5058510
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+C 1.9717940 -1.7052810 -0.7323920
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+H 1.5688020 0.3509850 1.0974220
+H 2.1432569 -2.6686080 1.2107170
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+H 1.6513410 -0.7287100 2.5879779
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+H -0.9716260 -1.4867589 1.3604240
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+C -1.0038480 0.7541910 1.1259800
+O -1.0751539 1.1990610 2.2314560
+O -0.9810640 1.5629340 -0.0000010

tools/generate-unit-test-expect/IRC/Exo/Exo-15.xyz

+19
+ comment:c
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+C -0.9685290 -0.6602560 0.6657240
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+C 1.9757529 -1.7058901 0.7330800
+C 1.9757550 -1.7058901 -0.7330760
+C 1.7148550 -0.6484770 -1.5097671
+H 1.5833811 0.3515180 1.1033000
+H 2.1456201 -2.6704280 1.2096500
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+H 1.5833820 0.3515170 -1.1032979
+H 1.6772031 -0.7307400 2.5920911
+H 1.6772079 -0.7307420 -2.5920889
+H -0.9910420 -1.4871440 1.3606310
+H -0.9910410 -1.4871449 -1.3606319
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+O -1.0720980 1.1999910 -2.2316639
+C -1.0096900 0.7545380 1.1259310
+O -1.0720990 1.1999919 2.2316620
+O -0.9815940 1.5629410 -0.0000010

tools/generate-unit-test-expect/IRC/Exo/Exo-16.xyz

+19
+ comment:c
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+C 1.7318510 -0.6486230 1.5131691
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+H 1.5988790 0.3521060 1.1084750
+H 2.1477730 -2.6723239 1.2086880
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+H 1.5988810 0.3521050 -1.1084729
+H 1.7017400 -0.7325490 2.5955889
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+H -1.0117739 -1.4874130 1.3607460
+H -1.0117720 -1.4874140 -1.3607470
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+O -1.0688980 1.2008650 -2.2318420
+C -1.0155210 0.7548800 1.1258970
+O -1.0688980 1.2008660 2.2318399
+O -0.9823670 1.5628639 -0.0000010

tools/generate-unit-test-expect/IRC/Exo/Exo-17.xyz

+19
+ comment:c
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+H 1.7250570 -0.7342110 2.5985191
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+H -1.0338980 -1.4875400 1.3608110
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tools/generate-unit-test-expect/IRC/Exo/Exo-18.xyz

+19
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+O -1.0621030 1.2023060 2.2321320
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tools/generate-unit-test-expect/IRC/Exo/Exo-19.xyz

+19
+ comment:c
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+C -1.0532130 -0.6605850 0.6650370
+C 1.7817140 -0.6487700 1.5205320
+C 1.9948030 -1.7089961 0.7350560
+C 1.9948040 -1.7089961 -0.7350520
+C 1.7817169 -0.6487710 -1.5205290
+H 1.6521670 0.3547850 1.1205291
+H 2.1516080 -2.6784120 1.2065440
+H 2.1516111 -2.6784129 -1.2065390
+H 1.6521680 0.3547840 -1.1205270
+H 1.7682110 -0.7369310 2.6029201
+H 1.7682160 -0.7369330 -2.6029179
+H -1.0813800 -1.4872980 1.3609140
+H -1.0813791 -1.4872990 -1.3609149
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tools/generate-unit-test-expect/IRC/Exo/Exo-20.xyz

+19
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tools/generate-unit-test-expect/IRC/Exo/Exo-21.xyz

+19
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tools/generate-unit-test-expect/IRC/Exo/Exo-22.xyz

+19
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tools/generate-unit-test-expect/IRC/Exo/Exo-23.xyz

+19
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tools/generate-unit-test-expect/IRC/Exo/Exo-24.xyz

+19
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tools/generate-unit-test-expect/IRC/Exo/Exo-25.xyz

+19
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tools/generate-unit-test-expect/IRC/Exo/Exo-26.xyz

+19
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