TDT2MOL 
CCOC(=O)NN1CCCC1N=[N]=NC(=O)OCC
 37 37  0  0  0  0              0      
    4.9200    2.5200    0.9600 C   0  0  0  3  0  0
    4.3900    2.9700   -0.3700 C   0  0  0  2  0  0
    3.1200    2.5600   -0.5200 O   0  0  0  0  0  0
    3.0600    1.2200   -0.5900 C   0  0  0  0  0  0
    4.1100    0.5500   -0.6100 O   0  0  0  0  0  0
    1.7700    0.5600   -0.6600 N   0  0  0  1  0  0
    1.6800   -0.8600   -0.7500 N   0  0  0  0  0  0
    2.2200   -1.6400    0.3500 C   0  0  0  2  0  0
    1.1400   -2.6200    0.7300 C   0  0  0  2  0  0
    0.3800   -2.8000   -0.5800 C   0  0  0  2  0  0
    0.3700   -1.3800   -1.1000 C   0  0  0  1  0  0
   -0.6900   -0.6200   -0.4500 N   0  0  0  0  0  0
   -1.8500   -0.6400   -0.9200 N   0  0  0  0  0  0
   -2.8600   -0.7500   -1.6500 N   0  0  0  0  0  0
   -4.1900   -0.6300   -1.0800 C   0  0  0  0  0  0
   -5.1700   -1.1300   -1.6700 O   0  0  0  0  0  0
   -4.3700    0.0300    0.0900 O   0  0  0  0  0  0
   -5.6900    0.2200    0.2900 C   0  0  0  2  0  0
   -5.9000    0.9500    1.5800 C   0  0  0  3  0  0
    5.9500    2.8600    1.0900 H   0  0  0  0  0  0
    4.2900    2.9400    1.7600 H   0  0  0  0  0  0
    4.8900    1.4200    1.0200 H   0  0  0  0  0  0
    4.4300    4.0700   -0.4200 H   0  0  0  0  0  0
    5.0200    2.5600   -1.1700 H   0  0  0  0  0  0
    0.9400    1.1300   -0.6400 H   0  0  0  0  0  0
    3.1000   -2.1800   -0.0600 H   0  0  0  0  0  0
    2.5600   -1.0300    1.1900 H   0  0  0  0  0  0
    0.4500   -2.1600    1.4700 H   0  0  0  0  0  0
    1.5100   -3.5600    1.1300 H   0  0  0  0  0  0
    0.9800   -3.4300   -1.2400 H   0  0  0  0  0  0
   -0.6000   -3.2300   -0.4400 H   0  0  0  0  0  0
    0.2200   -1.3400   -2.1900 H   0  0  0  0  0  0
   -6.1100    0.8100   -0.5400 H   0  0  0  0  0  0
   -6.2000   -0.7600    0.3300 H   0  0  0  0  0  0
   -5.4800    0.3600    2.4100 H   0  0  0  0  0  0
   -5.4000    1.9300    1.5300 H   0  0  0  0  0  0
   -6.9800    1.1000    1.7500 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7 11  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 20  1  1  0
 21  1  1  0
 22  1  1  0
 23  2  1  0
 24  2  1  0
 25  6  1  0
 26  8  1  0
 27  8  1  0
 28  9  1  0
 29  9  1  0
 30 10  1  0
 31 10  1  0
 32 11  1  0
 33 18  1  0
 34 18  1  0
 35 19  1  0
 36 19  1  0
 37 19  1  0
M  END

$$$$