PQR
  CCTOOLS-1004241122

 20 20  0  0  0  0  0  0  0  0999 V2000
   -3.5910    0.4850   -0.0100 O   0  0  0  0  0
   -2.2330    0.4190   -0.0070 C   0  0  0  0  0
   -1.5960   -0.8200    0.0070 C   0  0  0  0  0
   -2.3330   -1.9640    0.0180 O   0  0  0  0  0
   -0.2140   -0.8860    0.0100 C   0  0  0  0  0
    0.5360    0.2840   -0.0020 C   0  0  0  0  0
    1.9310    0.2190    0.0010 N   0  0  0  0  0
    2.5230   -0.9270    0.0130 N   0  0  0  0  0
    3.7400   -0.9830    0.0150 O   0  0  0  0  0
    2.7210    1.4520   -0.0110 C   0  0  0  0  0
   -1.4820    1.5830   -0.0230 C   0  0  0  0  0
   -0.1020    1.5180   -0.0150 C   0  0  0  0  0
    2.9160    1.7690    1.0130 H   0  0  0  0  0
    3.6670    1.2730   -0.5220 H   0  0  0  0  0
    2.1690    2.2330   -0.5340 H   0  0  0  0  0
   -1.9770    2.5440   -0.0350 H   0  0  0  0  0
   -3.9860    0.5130    0.8730 H   0  0  0  0  0
   -2.5440   -2.3030   -0.8620 H   0  0  0  0  0
    0.4810    2.4270   -0.0240 H   0  0  0  0  0
    0.2810   -1.8460    0.0210 H   0  0  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2  1  1  0  0  0
  3  4  1  0  0  0
  4 18  1  0  0  0
  5  3  2  0  0  0
  5 20  1  0  0  0
  6  5  1  0  0  0
  7 10  1  0  0  0
  7  6  1  0  0  0
  8  7  1  0  0  0
  9  8  2  0  0  0
 10 13  1  0  0  0
 10 14  1  0  0  0
 10 15  1  0  0  0
 11  2  2  0  0  0
 11 16  1  0  0  0
 12  6  2  0  0  0
 12 11  1  0  0  0
 12 19  1  0  0  0
M  END
$$$$