B90CTR
  -OEChem-04022106442D

 57 60  0     1  0  0  0  0  0999 V2000
    2.0000   -2.8553    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5577    2.1113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7389    3.7252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0304   -0.3319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7684   -0.6336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6768   -0.8700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7402   -0.8428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5754   -1.8315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3876   -3.6362    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5754   -3.8315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3649    0.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9874    0.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9554    1.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2677   -1.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9355   -2.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8433   -1.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5519    2.0033    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7093   -2.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2981    1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9380   -0.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0369    0.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3876   -2.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4414   -2.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892   -1.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6983   -1.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6249   -3.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1424    2.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4414   -3.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9712   -2.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9785   -2.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7093   -3.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464   -3.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9357    0.7289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8497   -0.0635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3846    0.6409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4706    1.4333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1857    1.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0908   -1.3315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8874    0.8384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4907    1.6203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7088    1.2236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7453   -0.8195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5273   -0.4228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1306    0.3592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2295    0.9805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4476    0.5838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8443   -0.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8751   -1.2371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0389   -3.6486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5716    2.3628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6576    3.1552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5912   -2.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1724   -3.6415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4537   -3.9827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5802   -4.2256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3075    2.6785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1050    4.2256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 17  1  0  0  0  0
  2 56  1  0  0  0  0
  3 27  1  0  0  0  0
  3 57  1  0  0  0  0
  4 25  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 12  1  0  0  0  0
  6 25  1  0  0  0  0
  6 38  1  0  0  0  0
  7 16  2  0  0  0  0
  8 18  1  0  0  0  0
  8 23  2  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 55  1  0  0  0  0
 10 28  2  0  0  0  0
 10 31  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 17  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  2  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  1  0  0  0  0
 17 27  1  0  0  0  0
 17 37  1  0  0  0  0
 18 31  2  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 22 29  2  0  0  0  0
 23 28  1  0  0  0  0
 24 30  2  0  0  0  0
 24 48  1  0  0  0  0
 26 32  2  0  0  0  0
 26 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 29 52  1  0  0  0  0
 30 32  1  0  0  0  0
 31 53  1  0  0  0  0
 32 54  1  0  0  0  0
M  END

$$$$