
  TDT2MOL 
CCCCCC1C=C(OC)C=C(*)N1C(=O)OC(C)(C)C(C)C
 47 47  0  0  0  0              0      
    3.2800    3.1500    0.7700 C   0  0  0  3  0  0
    3.3200    2.6700   -0.6500 C   0  0  0  2  0  0
    2.0400    1.9900   -1.0100 C   0  0  0  2  0  0
    1.8400    0.7500   -0.1800 C   0  0  0  2  0  0
    0.5700    0.0700   -0.5800 C   0  0  0  2  0  0
    0.3300   -1.1500    0.2800 C   0  0  0  1  0  0
    1.4700   -2.1100    0.1200 C   0  0  0  1  0  0
    1.3200   -3.3800   -0.3100 C   0  0  0  0  0  0
    2.3800   -4.2000   -0.4400 O   0  0  0  0  0  0
    3.3500   -3.9600    0.4500 C   0  0  0  3  0  0
   -0.0400   -3.9000   -0.6700 C   0  0  0  1  0  0
   -1.1100   -3.0900   -0.5500 C   0  0  0  0  0  0
   -2.3900   -3.5700   -0.8700 R   0  0  0  0  0  0
   -0.9400   -1.7300   -0.0800 N   0  0  0  0  0  0
   -2.1300   -0.8900    0.0500 C   0  0  0  0  0  0
   -3.2400   -1.3600   -0.2500 O   0  0  0  0  0  0
   -2.0300    0.3700    0.4800 O   0  0  0  0  0  0
   -3.1700    1.0600    0.3400 C   0  0  0  0  0  0
   -3.6300    1.0800   -1.0900 C   0  0  0  3  0  0
   -4.2400    0.5400    1.2400 C   0  0  0  3  0  0
   -2.8600    2.4900    0.7500 C   0  0  0  3  0  0
    2.4200    3.8200    0.9100 H   0  0  0  0  0  0
    3.1900    2.3000    1.4600 H   0  0  0  0  0  0
    4.2100    3.7000    1.0100 H   0  0  0  0  0  0
    4.1600    1.9700   -0.7800 H   0  0  0  0  0  0
    3.4800    3.5300   -1.3200 H   0  0  0  0  0  0
    1.1900    2.6700   -0.8400 H   0  0  0  0  0  0
    2.0600    1.7000   -2.0800 H   0  0  0  0  0  0
    1.7800    1.0200    0.8800 H   0  0  0  0  0  0
    2.7000    0.0800   -0.3400 H   0  0  0  0  0  0
   -0.2700    0.7700   -0.4600 H   0  0  0  0  0  0
    0.6300   -0.2400   -1.6300 H   0  0  0  0  0  0
    0.2900   -0.8200    1.3300 H   0  0  0  0  0  0
    2.4900   -1.7700    0.3800 H   0  0  0  0  0  0
    4.0200   -4.8400    0.5000 H   0  0  0  0  0  0
    3.9500   -3.0900    0.1300 H   0  0  0  0  0  0
    2.9500   -3.7700    1.4600 H   0  0  0  0  0  0
   -0.1600   -4.9300   -1.0300 H   0  0  0  0  0  0
   -2.8300    1.4700   -1.7300 H   0  0  0  0  0  0
   -3.9100    0.0800   -1.4300 H   0  0  0  0  0  0
   -4.5100    1.7400   -1.1800 H   0  0  0  0  0  0
   -4.5400   -0.4800    0.9600 H   0  0  0  0  0  0
   -5.1400    1.1900    1.1700 H   0  0  0  0  0  0
   -3.8800    0.5400    2.2800 H   0  0  0  0  0  0
   -2.5200    2.5100    1.8000 H   0  0  0  0  0  0
   -2.0700    2.9100    0.1000 H   0  0  0  0  0  0
   -3.7700    3.1000    0.6500 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6 14  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 22  1  1  0
 23  1  1  0
 24  1  1  0
 25  2  1  0
 26  2  1  0
 27  3  1  0
 28  3  1  0
 29  4  1  0
 30  4  1  0
 31  5  1  0
 32  5  1  0
 33  6  1  0
 34  7  1  0
 35 10  1  0
 36 10  1  0
 37 10  1  0
 38 11  1  0
 39 19  1  0
 40 19  1  0
 41 19  1  0
 42 20  1  0
 43 20  1  0
 44 20  1  0
 45 21  1  0
 46 21  1  0
 47 21  1  0
M  END

$$$$
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