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https://github.com/galaxyproject/galaxy.git
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56 lines
1.3 KiB
Plaintext
56 lines
1.3 KiB
Plaintext
CHEBI:57262
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RDKit 3D
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0 0 0 0 0 0 0 0 0 0999 V3000
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M V30 BEGIN CTAB
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M V30 COUNTS 22 21 0 0 0
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M V30 BEGIN ATOM
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M V30 1 P 18.2567 -5.6825 0 0
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M V30 2 O 18.0395 -6.6275 0 0 CHG=-1
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M V30 3 O 18.255 -4.7415 0 0
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M V30 4 O 18.9453 -6.0633 0 0
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M V30 5 O 17.4245 -5.9341 0 0
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M V30 6 C 15.2886 -5.4953 0 0
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M V30 7 C 15.9989 -5.9147 0 0
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M V30 8 C 16.7174 -5.5091 0 0
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M V30 9 O 14.5702 -5.9009 0 0
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M V30 10 C 13.8556 -5.4886 0 0
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M V30 11 O 13.8553 -4.6636 0 0
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M V30 12 O 15.9909 -6.7396 0 0
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M V30 13 O 21.0888 -4.8258 0 0
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M V30 14 C 21.0888 -5.6508 0 0
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M V30 15 C 20.3743 -6.0633 0 0
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M V30 16 N 20.3743 -6.8883 0 0 CHG=1
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M V30 17 C 19.6598 -5.6508 0 0
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M V30 18 O 21.8033 -6.0633 0 0 CHG=-1
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M V30 19 R 13.1411 -5.9011 0 0 MASS=1
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M V30 20 C 15.2764 -7.1521 0 0
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M V30 21 O 15.2764 -7.9771 0 0
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M V30 22 R 14.562 -6.7396 0 0 MASS=2
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M V30 END ATOM
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M V30 BEGIN BOND
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M V30 1 1 1 2
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M V30 2 2 1 3
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M V30 3 1 1 4
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M V30 4 1 6 9
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M V30 5 1 7 6 CFG=3
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M V30 6 1 8 7
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M V30 7 1 5 8
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M V30 8 1 10 9
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M V30 9 2 10 11
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M V30 10 1 7 12
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M V30 11 1 1 5
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M V30 12 1 15 14 CFG=1
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M V30 13 2 14 13
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M V30 14 1 15 16
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M V30 15 1 15 17
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M V30 16 1 17 4
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M V30 17 1 18 14
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M V30 18 1 10 19
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M V30 19 1 12 20
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M V30 20 2 20 21
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M V30 21 1 20 22
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M V30 END BOND
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M V30 END CTAB
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M END
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