TDT2MOL 
COC(=O)Cc1c(C)cn(C(=O)C)c1C
 30 30  0  0  0  0              0      
    4.0800   -0.1100    1.3800 C   0  0  0  3  0  0
    2.9300    0.2900    0.7900 O   0  0  0  0  0  0
    2.5100   -0.6800   -0.0600 C   0  0  0  0  0  0
    2.8900   -1.8500    0.1400 O   0  0  0  0  0  0
    1.6200   -0.3500   -1.2100 C   0  0  0  2  0  0
    0.2600    0.0300   -0.7000 C   0  0  0  0  0  0
   -0.1500    1.3200   -0.3300 C   0  0  0  0  0  0
    0.6900    2.5600   -0.3700 C   0  0  0  3  0  0
   -1.4900    1.2400    0.0800 C   0  0  0  1  0  0
   -1.9000   -0.0900   -0.0400 N   0  0  0  0  0  0
   -3.2200   -0.6100    0.2800 C   0  0  0  0  0  0
   -3.4600   -1.8300    0.1400 O   0  0  0  0  0  0
   -4.2900    0.3100    0.7900 C   0  0  0  3  0  0
   -0.8300   -0.8400   -0.5200 C   0  0  0  0  0  0
   -0.8300   -2.3100   -0.7900 C   0  0  0  3  0  0
    4.8500   -0.2800    0.6100 H   0  0  0  0  0  0
    3.9000   -1.0400    1.9400 H   0  0  0  0  0  0
    4.4300    0.6800    2.0700 H   0  0  0  0  0  0
    1.5300   -1.2200   -1.8700 H   0  0  0  0  0  0
    2.0400    0.5000   -1.7800 H   0  0  0  0  0  0
    0.1200    3.4000    0.0400 H   0  0  0  0  0  0
    1.6000    2.4000    0.2300 H   0  0  0  0  0  0
    0.9800    2.7800   -1.4100 H   0  0  0  0  0  0
   -2.1000    2.0900    0.4300 H   0  0  0  0  0  0
   -5.2000    0.1700    0.1800 H   0  0  0  0  0  0
   -3.9500    1.3500    0.7100 H   0  0  0  0  0  0
   -4.5100    0.0800    1.8400 H   0  0  0  0  0  0
    0.2000   -2.6600   -0.9300 H   0  0  0  0  0  0
   -1.4100   -2.5100   -1.7000 H   0  0  0  0  0  0
   -1.2800   -2.8400    0.0600 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6 14  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  1  0
 14 15  1  0
 16  1  1  0
 17  1  1  0
 18  1  1  0
 19  5  1  0
 20  5  1  0
 21  8  1  0
 22  8  1  0
 23  8  1  0
 24  9  1  0
 25 13  1  0
 26 13  1  0
 27 13  1  0
 28 15  1  0
 29 15  1  0
 30 15  1  0
M  END

$$$$