TDT2MOL 
COC(=O)C1N=NCC1C(C)OCc2ccccc2
 37 38  0  0  0  0              0      
    6.0100    0.6900    0.1400 C   0  0  0  3  0  0
    4.9500    0.2000    0.8200 O   0  0  0  0  0  0
    3.8700    0.2000    0.0000 C   0  0  0  0  0  0
    4.0500    0.1600   -1.2400 O   0  0  0  0  0  0
    2.4900    0.2600    0.5700 C   0  0  0  1  0  0
    2.2100    1.6900    0.8700 N   0  0  0  0  0  0
    1.5400    2.2400   -0.0800 N   0  0  0  0  0  0
    1.2600    1.2500   -1.1700 C   0  0  0  2  0  0
    1.4400   -0.0700   -0.4600 C   0  0  0  1  0  0
    0.1400   -0.4800    0.1900 C   0  0  0  1  0  0
    0.3100   -1.8100    0.8700 C   0  0  0  3  0  0
   -0.8000   -0.5800   -0.7600 O   0  0  0  0  0  0
   -1.6600    0.4200   -0.9200 C   0  0  0  2  0  0
   -3.0000    0.0400   -0.3500 C   0  0  0  0  0  0
   -4.1600    0.2500   -1.1100 C   0  0  0  1  0  0
   -5.4100   -0.1100   -0.5800 C   0  0  0  1  0  0
   -5.5000   -0.6700    0.7000 C   0  0  0  1  0  0
   -4.3300   -0.8800    1.4500 C   0  0  0  1  0  0
   -3.0900   -0.5200    0.9300 C   0  0  0  1  0  0
    5.8000    1.7200   -0.2000 H   0  0  0  0  0  0
    6.8900    0.7000    0.8000 H   0  0  0  0  0  0
    6.2100    0.0500   -0.7400 H   0  0  0  0  0  0
    2.4300   -0.3000    1.4900 H   0  0  0  0  0  0
    0.2800    1.4400   -1.5900 H   0  0  0  0  0  0
    2.0500    1.4100   -1.9200 H   0  0  0  0  0  0
    1.7500   -0.8600   -1.1500 H   0  0  0  0  0  0
   -0.1400    0.2600    0.9600 H   0  0  0  0  0  0
   -0.6500   -2.1200    1.3200 H   0  0  0  0  0  0
    1.0700   -1.7500    1.6600 H   0  0  0  0  0  0
    0.6200   -2.5600    0.1200 H   0  0  0  0  0  0
   -1.7900    0.6200   -2.0000 H   0  0  0  0  0  0
   -1.3400    1.3500   -0.4300 H   0  0  0  0  0  0
   -4.1000    0.6900   -2.1100 H   0  0  0  0  0  0
   -6.3200    0.0500   -1.1700 H   0  0  0  0  0  0
   -6.4800   -0.9500    1.1100 H   0  0  0  0  0  0
   -4.4000   -1.3200    2.4600 H   0  0  0  0  0  0
   -2.1700   -0.6900    1.5200 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  9  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 19  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 20  1  1  0
 21  1  1  0
 22  1  1  0
 23  5  1  0
 24  8  1  0
 25  8  1  0
 26  9  1  0
 27 10  1  0
 28 11  1  0
 29 11  1  0
 30 11  1  0
 31 13  1  0
 32 13  1  0
 33 15  1  0
 34 16  1  0
 35 17  1  0
 36 18  1  0
 37 19  1  0
M  END

$$$$