gran.MOL


 29 29  0  0  0                 1 V2000
   -0.9300    1.8975    1.0285 C   0  0  0  0  0
   -1.6333    1.8067   -0.3437 C   0  0  0  0  0
   -0.8327    0.5135   -0.6634 C   0  0  0  0  0
   -0.5122    0.4104    0.8615 C   0  0  0  0  0
    0.9482    0.1603    1.2709 C   0  0  0  0  0
    1.3832   -1.2983    1.1640 C   0  0  0  0  0
    2.8072   -1.3822    1.2435 O   0  0  0  0  0
    0.3214    0.6756   -1.6296 C   0  0  0  0  0
    0.5811   -0.5016   -2.5416 C   0  0  0  0  0
    1.0790    1.7809   -1.7174 C   0  0  0  0  0
   -1.4925   -0.5195    1.5965 C   0  0  0  0  0
   -1.6100    2.0995    1.8841 H   0  0  0  0  0
   -0.0690    2.6013    1.0186 H   0  0  0  0  0
   -1.4593    2.6670   -1.0236 H   0  0  0  0  0
   -2.7242    1.6081   -0.2298 H   0  0  0  0  0
   -1.5200   -0.2907   -1.0118 H   0  0  0  0  0
    1.0796    0.4900    2.3292 H   0  0  0  0  0
    1.6332    0.7961    0.6667 H   0  0  0  0  0
    1.0797   -1.7440    0.1932 H   0  0  0  0  0
    0.9657   -1.9153    1.9912 H   0  0  0  0  0
    3.1504   -0.9571    0.4754 H   0  0  0  0  0
    1.4707   -0.3529   -3.1933 H   0  0  0  0  0
   -0.2960   -0.6685   -3.2070 H   0  0  0  0  0
    0.7534   -1.4304   -1.9560 H   0  0  0  0  0
    1.9032    1.8512   -2.4426 H   0  0  0  0  0
    0.9212    2.6588   -1.0772 H   0  0  0  0  0
   -1.3573   -1.5775    1.2793 H   0  0  0  0  0
   -2.5554   -0.2574    1.3965 H   0  0  0  0  0
   -1.3374   -0.4635    2.6977 H   0  0  0  0  0
  1  2  1  6  0  0
  1  4  1  0  0  0
  1 12  1  1  0  0
  1 13  1  0  0  0
  2  3  1  0  0  0
  2 14  1  6  0  0
  2 15  1  0  0  0
  3  4  1  1  0  0
  3  8  1  6  0  0
  3 16  1  0  0  0
  4  5  1  0  0  0
  4 11  1  1  0  0
  5  6  1  0  0  0
  5 17  1  1  0  0
  5 18  1  6  0  0
  6  7  1  0  0  0
  6 19  1  6  0  0
  6 20  1  1  0  0
  7 21  1  6  0  0
  8  9  1  6  0  0
  8 10  2  0  0  0
  9 22  1  6  0  0
  9 23  1  6  0  0
  9 24  1  1  0  0
 10 25  1  6  0  0
 10 26  1  1  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 11 29  1  1  0  0
M  END