SQP
  CCTOOLS-0919241030

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.8880    0.7380   -0.0740 C   0  0  0  0  0
    1.4190    2.0170   -0.2210 C   0  0  0  0  0
   -0.5790    0.5370   -0.0640 C   0  0  0  0  0
   -1.3680    1.1920    0.8830 C   0  0  0  0  0
   -2.7330    1.0030    0.8900 C   0  0  0  0  0
   -2.5410   -0.4880   -0.9940 C   0  0  0  0  0
   -4.7060   -0.0280   -0.0360 N   0  0  0  0  0
    2.7870    2.1990   -0.2350 C   0  0  0  0  0
    0.0110   -1.8850    0.3490 O   0  0  0  0  0
    3.6410    1.1160   -0.1040 C   0  0  0  0  0
   -1.1760   -0.3030   -1.0050 C   0  0  0  0  0
    1.2070   -1.7230    0.2160 C   0  0  0  0  0
    3.1350   -0.1590    0.0420 C   0  0  0  0  0
    1.7540   -0.3630    0.0590 C   0  0  0  0  0
   -3.3250    0.1610   -0.0450 C   0  0  0  0  0
    2.0350   -2.7870    0.2120 O   0  0  0  0  0
    0.7600    2.8660   -0.3240 H   0  0  0  0  0
   -0.9090    1.8460    1.6100 H   0  0  0  0  0
   -3.3440    1.5100    1.6230 H   0  0  0  0  0
   -3.0040   -1.1380   -1.7220 H   0  0  0  0  0
   -5.1200   -0.6120   -0.6910 H   0  0  0  0  0
   -5.2530    0.4240    0.6250 H   0  0  0  0  0
    3.1940    3.1930   -0.3500 H   0  0  0  0  0
    4.7090    1.2710   -0.1170 H   0  0  0  0  0
   -0.5680   -0.8070   -1.7420 H   0  0  0  0  0
    3.8070   -0.9980    0.1430 H   0  0  0  0  0
    1.6300   -3.6580    0.3180 H   0  0  0  0  0
  1 14  1  0  0  0
  2  1  2  0  0  0
  2  8  1  0  0  0
  2 17  1  0  0  0
  3  1  1  0  0  0
  4  3  1  0  0  0
  4 18  1  0  0  0
  5  4  2  0  0  0
  5 19  1  0  0  0
  6 11  1  0  0  0
  6 20  1  0  0  0
  7 15  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8 10  2  0  0  0
  8 23  1  0  0  0
  9 12  2  0  0  0
 10 13  1  0  0  0
 10 24  1  0  0  0
 11  3  2  0  0  0
 11 25  1  0  0  0
 12 16  1  0  0  0
 13 26  1  0  0  0
 14 12  1  0  0  0
 14 13  2  0  0  0
 15  6  2  0  0  0
 15  5  1  0  0  0
 16 27  1  0  0  0
M  END
$$$$