formulatest.mol | searchcode

/data/formulatest.mol

http://github.com/rajarshi/cdkr
Unknown | 150 lines | 148 code | 2 blank | 0 comment | 0 complexity | 9faa02b388641521eb7a98989858a489 MD5 | raw file

PtdIns-(4,5)-P2-biotin
  ChemDraw09091017372D

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  5  56  57  58  59  60
M  SBL   1  1  58
M  SMT   1 OPO3H2
M  SBV   1  58   -0.7145    0.4125
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  5  61  62  63  64  65
M  SBL   2  1  63
M  SMT   2 OPO3H2
M  SBV   2  63    0.0000    0.8250
M  END