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87f6bf35a7
We're adding the test data and the file to run the tests (adapted from something in the python sandbox).
35 lines
851 B
Plaintext
35 lines
851 B
Plaintext
$RXN
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ISIS 082120061354
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2 1
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$MOL
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-ISIS- 08210613542D
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3 2 0 0 0 0 0 0 0 0999 V2000
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-1.4340 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 2 0 0
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-0.8639 -0.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.4340 0.0542 0.0000 O 0 0 0 0 0 0 0 0 0 1 0 0
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1 2 1 0 0 0 0
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1 3 2 0 0 0 0
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M END
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$MOL
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-ISIS- 08210613542D
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1 0 0 0 0 0 0 0 0 0999 V2000
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2.2125 -0.7833 0.0000 N 0 0 0 0 0 0 0 0 0 3 0 0
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M END
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$MOL
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-ISIS- 08210613542D
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3 2 0 0 0 0 0 0 0 0999 V2000
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9.5282 -0.8083 0.0000 N 0 0 0 0 0 0 0 0 0 3 0 0
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8.9579 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 2 0 0
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8.9579 0.1792 0.0000 O 0 0 0 0 0 0 0 0 0 1 0 0
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1 2 1 0 0 0 0
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2 3 2 0 0 0 0
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M END
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