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/data/formulatest.mol

http://github.com/rajarshi/cdkr
Unknown | 150 lines | 148 code | 2 blank | 0 comment | 0 complexity | 9faa02b388641521eb7a98989858a489 MD5 | raw file
  1. PtdIns-(4,5)-P2-biotin
  2. ChemDraw09091017372D
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  136. M STY 1 1 SUP
  137. M SLB 1 1 1
  138. M SAL 1 5 56 57 58 59 60
  139. M SBL 1 1 58
  140. M SMT 1 OPO3H2
  141. M SBV 1 58 -0.7145 0.4125
  142. M STY 1 2 SUP
  143. M SLB 1 2 2
  144. M SAL 2 5 61 62 63 64 65
  145. M SBL 2 1 63
  146. M SMT 2 OPO3H2
  147. M SBV 2 63 0.0000 0.8250
  148. M END