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annotate test-data/std_molblock.mol @ 6:a57de37f12c2 draft

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"planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 78f2261af4e00c830ea311337d0aed9b297aad8e"
author bgruening
date Wed, 07 Oct 2020 09:31:40 +0000
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a57de37f12c2 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 78f2261af4e00c830ea311337d0aed9b297aad8e"
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a57de37f12c2 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 78f2261af4e00c830ea311337d0aed9b297aad8e"
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2 RDKit 2D
a57de37f12c2 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 78f2261af4e00c830ea311337d0aed9b297aad8e"
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a57de37f12c2 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 78f2261af4e00c830ea311337d0aed9b297aad8e"
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4 4 3 0 0 0 0 0 0 0 0999 V2000
a57de37f12c2 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 78f2261af4e00c830ea311337d0aed9b297aad8e"
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5 -2.5038 0.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
a57de37f12c2 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 78f2261af4e00c830ea311337d0aed9b297aad8e"
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6 -2.5038 1.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
a57de37f12c2 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 78f2261af4e00c830ea311337d0aed9b297aad8e"
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7 -3.2182 -0.0065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
a57de37f12c2 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 78f2261af4e00c830ea311337d0aed9b297aad8e"
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8 -1.7893 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
a57de37f12c2 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 78f2261af4e00c830ea311337d0aed9b297aad8e"
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9 1 2 1 0
a57de37f12c2 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 78f2261af4e00c830ea311337d0aed9b297aad8e"
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10 1 3 1 0
a57de37f12c2 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 78f2261af4e00c830ea311337d0aed9b297aad8e"
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11 1 4 1 0
a57de37f12c2 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 78f2261af4e00c830ea311337d0aed9b297aad8e"
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12 M END