B78XTY
  -OEChem-04022103312D

 53 56  0     1  0  0  0  0  0999 V2000
    4.7320   -1.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -4.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -7.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    7.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    6.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8366   -1.7555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3147   -2.4136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8147   -1.5476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -3.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6456   -3.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6540   -3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7056   -2.6511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -3.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690   -4.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690   -6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7745   -3.7632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894    5.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880    4.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 16  1  0  0  0  0
  3 20  1  0  0  0  0
  4 28  1  0  0  0  0
  5 37  1  0  0  0  0
  6 37  1  0  0  0  0
  7 37  1  0  0  0  0
  8 15  1  0  0  0  0
  8 40  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  0  0  0  0
 10 27  1  0  0  0  0
 11 19  2  0  0  0  0
 11 29  1  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 13 27  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 41  1  0  0  0  0
 22 26  2  0  0  0  0
 22 42  1  0  0  0  0
 23 28  2  0  0  0  0
 23 43  1  0  0  0  0
 24 28  1  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
 25 29  2  0  0  0  0
 25 30  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 29 47  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 48  1  0  0  0  0
 32 34  2  0  0  0  0
 32 49  1  0  0  0  0
 33 35  2  0  0  0  0
 33 50  1  0  0  0  0
 34 35  1  0  0  0  0
 34 51  1  0  0  0  0
 36 37  1  0  0  0  0
 36 52  1  0  0  0  0
 36 53  1  0  0  0  0
M  END

$$$$