B89MOH
  -OEChem-04022106223D

 19 20  0     0  0  0  0  0  0999 V2000
    2.2629   -1.7447   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8148   -0.0805   -0.0009 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5943   -0.3560    0.0001 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.8759   -1.8379    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3576    2.9381   -0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9934   -0.3264    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4190   -0.5841    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6792   -0.2016   -1.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6799   -0.2006    1.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4639    0.3494    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0514    0.0491   -1.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0522    0.0499    1.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7378    0.1748   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4055    1.7705    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1591   -0.2967   -2.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1606   -0.2949    2.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5854    0.1465   -2.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5869    0.1480    2.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8062    0.3699   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3 10  2  0  0  0  0
  4  7  2  0  0  0  0
  5 14  3  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
  9 16  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  CHG  2   2  -1   3   1
M  END

$$$$