L28PUR
  -OEChem-05022321573D

 27 27  0     0  0  0  0  0  0999 V2000
    3.8519   -0.7395   -1.0858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1675   -0.0243    0.8028 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7117    0.2661    0.6783 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6971   -1.1343    0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0563   -0.9081    1.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4907    0.0439    0.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0090   -1.0010   -0.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2815    1.1566    0.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5583    0.2509   -0.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3175   -0.9331   -0.9238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5900    1.2245    0.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1080    0.1795   -0.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0889    1.6187   -0.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2710   -2.0565    0.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8338   -1.2701   -0.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9537   -0.7733    2.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6976   -1.7792    1.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1678    0.7584    1.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5269    1.1496    1.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4292   -1.8854   -0.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8896    1.9776    1.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7214   -1.7464   -1.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2058    2.0908    0.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1269    0.2324   -1.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9174    1.5283   -1.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2924    2.2168   -1.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4534    2.1181    0.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 20  1  0  0  0  0
  8 11  2  0  0  0  0
  8 21  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END

$$$$