Structure written by MMmdl.
 26 27  0  0  1  0            999 V2000
   -1.8212   -0.0201    0.5445 C   0  0  0  0  0  0
   -1.6482   -0.9635   -0.3955 N   0  0  0  0  0  0
   -2.8623   -1.6378   -0.9507 C   0  0  0  0  0  0
   -0.3952   -1.2742   -0.8093 C   0  0  0  0  0  0
    0.7076   -0.6023   -0.2468 C   0  0  0  0  0  0
    0.3834    0.3353    0.7008 C   0  0  0  0  0  0
   -0.8558    0.6796    1.1463 N   0  0  0  0  0  0
   -1.1424    1.7098    2.1814 C   0  0  0  0  0  0
    1.5721    0.8847    1.1358 N   0  0  0  0  0  0
    2.5108    0.2223    0.4045 C   0  0  0  0  0  0
    2.0927   -0.6717   -0.4355 N   0  0  0  0  0  0
    2.8171   -1.5646   -1.3740 C   0  0  0  0  0  0
    3.8298    0.4964    0.5583 O   0  0  0  0  0  0
   -0.1600   -2.2255   -1.7624 O   0  0  0  0  0  0
   -3.1007    0.2576    0.9284 O   0  0  0  0  0  0
   -2.6177   -2.3854   -1.7058 H   0  0  0  0  0  0
   -3.4161   -2.1476   -0.1612 H   0  0  0  0  0  0
   -3.5267   -0.9115   -1.4208 H   0  0  0  0  0  0
   -0.2205    2.1650    2.5468 H   0  0  0  0  0  0
   -1.7632    2.5079    1.7721 H   0  0  0  0  0  0
   -1.6522    1.2669    3.0380 H   0  0  0  0  0  0
    3.8966   -1.4229   -1.3291 H   0  0  0  0  0  0
    2.6017   -2.6090   -1.1431 H   0  0  0  0  0  0
    2.4923   -1.3780   -2.3988 H   0  0  0  0  0  0
    4.3646   -0.0339   -0.0081 H   0  0  0  0  0  0
   -3.1463    0.9260    1.5880 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  7  2  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  3 16  1  0  0  0
  3 17  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 14  2  0  0  0
  5  6  2  0  0  0
  5 11  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  8 19  1  0  0  0
  8 20  1  0  0  0
  8 21  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  1  0  0  0
 12 22  1  0  0  0
 12 23  1  0  0  0
 12 24  1  0  0  0
 13 25  1  0  0  0
 15 26  1  0  0  0
M  END
> <s_m_entry_name>
8-oxy-caffeine