B7OE2H
  -OEChem-04022116083D

 28 30  0     0  0  0  0  0  0999 V2000
    4.7945    1.6019   -0.3915 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3798   -0.4289    0.4449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0096   -0.7660   -0.1095 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8752   -1.9606   -0.2893 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0350    0.1337    0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3559   -0.4894   -0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1891   -0.6363   -0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5617   -2.0024   -0.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0519    1.5129    0.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2386   -1.4573    0.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8181    0.7507   -0.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4430   -0.0099    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0782    0.0616    0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6051   -1.1806    0.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1847    1.0273   -0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3086    2.1199    0.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4840    1.3739    0.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5031    0.3495    0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9824   -2.9030   -0.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1723    2.1203    0.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9044   -2.4279    0.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1902    1.4952   -0.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3622   -0.5808   -0.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2847   -1.9448    0.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5133    1.9978   -0.8113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3714    3.1903    0.5159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4459    1.8734    0.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7576    1.7858   -0.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 28  1  0  0  0  0
  2 18  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 19  1  0  0  0  0
  9 16  1  0  0  0  0
  9 20  1  0  0  0  0
 10 14  1  0  0  0  0
 10 21  1  0  0  0  0
 11 15  2  0  0  0  0
 11 22  1  0  0  0  0
 12 17  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 18  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END

$$$$