File: RadicalTests.mrv.expected.sdf

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file content (27 lines) | stat: -rw-r--r-- 702 bytes parent folder | download | duplicates (2)
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     RDKit          2D

  0  0  0  0  0  0  0  0  0  0999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 8 7 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N -15.500000 5.159293 0.000000 0
M  V30 2 C -16.250000 6.458333 0.000000 0
M  V30 3 O -15.500000 7.757373 0.000000 0 CHG=-1
M  V30 4 C -17.750000 6.458333 0.000000 0
M  V30 5 C -18.500000 5.159293 0.000000 0 RAD=3 VAL=2
M  V30 6 C -20.000000 5.159293 0.000000 0 RAD=3 VAL=2
M  V30 7 C -20.750000 6.458333 0.000000 0 MASS=13 RAD=2 VAL=3
M  V30 8 C -20.000000 7.757373 0.000000 0 RAD=2 VAL=1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 1
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 END BOND
M  V30 END CTAB
M  END