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We're adding the test data and the file to run the tests (adapted from something in the python sandbox).
24 lines
910 B
Plaintext
24 lines
910 B
Plaintext
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Marvin 08160807402D
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9 9 0 0 1 0 999 V2000
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0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.7145 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
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1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0 0 0 0
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2 3 1 6 0 0 0
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2 4 1 0 0 0 0
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4 5 4 0 0 0 0
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5 6 4 0 0 0 0
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6 7 4 0 0 0 0
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7 8 4 0 0 0 0
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8 9 4 0 0 0 0
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4 9 4 0 0 0 0
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M END
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