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patoms example
Mrv2007 05142014582D
0 0 0 0 0 999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 9 8 1 0 0
M V30 BEGIN ATOM
M V30 1 C -16.0833 6.75 0 0
M V30 2 C -14.7497 7.52 0 0
M V30 3 N -13.416 6.75 0 0
M V30 4 C -12.0823 7.52 0 0
M V30 5 C -10.5208 6.6185 0 0
M V30 6 C -13.416 5.21 0 0
M V30 7 N -13.416 6.75 0 0
M V30 8 C -12.0823 7.52 0 0
M V30 9 C -13.416 5.21 0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 3 4
M V30 3 1 3 6
M V30 4 1 7 8
M V30 5 1 7 9
M V30 6 1 8 3
M V30 7 1 2 7
M V30 8 1 5 4
M V30 END BOND
M V30 BEGIN SGROUP
M V30 1 MUL 0 ATOMS=(6 3 4 6 7 8 9) XBONDS=(2 8 7) BRKXYZ=(9 -14.186 4.132 0 -
M V30 -14.186 8.598 0 0 0 0) BRKXYZ=(9 -11.3213 8.598 0 -11.3213 4.132 0 0 0 -
M V30 0) PATOMS=(3 3 4 6) MULT=2
M V30 END SGROUP
M V30 END CTAB
M END
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