
  -molcms-06062621402D

 47 46  0  0  0  0  0  0  0  0999 V2000
    5.0000    1.7321    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    2.5981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.4641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    3.4641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    2.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    1.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5851    1.6191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6454    1.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8794    1.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167    2.7632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6629    2.8961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9397    1.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7660    0.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1736    2.2206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    1.2358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4718    0.2923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3512    0.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8139    0.1329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5676    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2909    1.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0842    0.7096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4214    0.3269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7909    2.1843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9248    2.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9248    3.6843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0588    2.1843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0588    3.1843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6569    1.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8305    0.6995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5229    2.1843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5229    1.1843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2909    3.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2909    3.0504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7909    3.9164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7909    3.9164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14  2  2  0  0  0  0
 14 15  1  0  0  0  0
  1 16  2  0  0  0  0
  1 17  2  0  0  0  0
  1 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 20 28  2  0  0  0  0
 19 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 35 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 43  1  0  0  0  0
 35 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 44 47  1  0  0  0  0
M  CHG  2  18  -1  35   1
M  END
