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

tools/generate-unit-test-expect/IRC/IRC08/IRC08-81.xyz

+19
+ comment:c
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-82.xyz

+19
+ comment:c
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-83.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-84.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-85.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-86.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-87.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-88.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-89.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-90.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-91.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-92.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-93.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-94.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-95.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-96.xyz

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tools/generate-unit-test-expect/IRC/IRC08/IRC08-97.xyz

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tools/generate-unit-test-expect/IRC/IRC08/IRC08-98.xyz

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tools/generate-unit-test-expect/TS/DA02.xyz

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tools/generate-unit-test-expect/TS/DA03.xyz

+19
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+C          1.99790       -0.17030       -0.58450
+C          0.88360        1.51760        0.39310
+C         -0.40630        1.28970       -0.02520
+C         -1.08150        0.07890        0.23910
+H         -0.91940       -1.87370        1.09820
+H          1.72600       -2.02180        0.45470
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+H          1.40790        2.41340        0.06770
+H         -0.83600        1.95560       -0.77460
+H          1.89890        0.28920       -1.56210
+H          0.71870       -1.81780       -1.06320
+H          1.25250        1.09040        1.31950
+H          0.27180       -0.64350        1.73910
+C         -2.34780       -0.22700       -0.52710
+H         -2.14880       -0.35070       -1.59970
+H         -2.82490       -1.14350       -0.16700
+H         -3.07250        0.58880       -0.42620