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8c9795f535
* Fixes #2225 * A bit of extra cleanup * forgotten file * Make this thread safe and add support for v3K mol blocks * add the file * update expected results
20 lines
724 B
Plaintext
20 lines
724 B
Plaintext
MJ150720
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7 7 0 0 0 0 0 0 0 0999 V2000
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-2.5670 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.2814 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.2814 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.5670 -0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.8525 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.8525 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.5670 1.6612 0.0000 Q 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 2 0 0 0 0
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2 3 1 0 0 0 0
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3 4 2 0 0 0 0
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4 5 1 0 0 0 0
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5 6 2 0 0 0 0
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6 1 1 0 0 0 0
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1 7 1 0 0 0 0
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M END
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