TDT2MOL 
COc1ccc(CCCN)cc1OC
 31 31  0  0  0  0              0      
   -4.3300   -0.9700    0.0400 C   0  0  0  3  0  0
   -3.4400   -1.9600   -0.1100 O   0  0  0  0  0  0
   -2.1300   -1.4900   -0.2100 C   0  0  0  0  0  0
   -1.1000   -2.4200   -0.3700 C   0  0  0  1  0  0
    0.2300   -2.0000   -0.4800 C   0  0  0  1  0  0
    0.5300   -0.6400   -0.4300 C   0  0  0  0  0  0
    1.9500   -0.1600   -0.5400 C   0  0  0  2  0  0
    2.3000    0.6500    0.6700 C   0  0  0  2  0  0
    3.7100    1.1600    0.5700 C   0  0  0  2  0  0
    4.6400    0.0500    0.5100 N   0  0  0  2  0  0
   -0.5000    0.3000   -0.2700 C   0  0  0  1  0  0
   -1.8300   -0.1200   -0.1600 C   0  0  0  0  0  0
   -2.8600    0.8100    0.0000 O   0  0  0  0  0  0
   -2.3800    2.0700    0.0300 C   0  0  0  3  0  0
   -5.3400   -1.4000    0.1200 H   0  0  0  0  0  0
   -4.1100   -0.4100    0.9600 H   0  0  0  0  0  0
   -4.2900   -0.2900   -0.8300 H   0  0  0  0  0  0
   -1.3400   -3.5000   -0.4100 H   0  0  0  0  0  0
    1.0300   -2.7400   -0.6000 H   0  0  0  0  0  0
    2.0600    0.4500   -1.4400 H   0  0  0  0  0  0
    2.6100   -1.0400   -0.6100 H   0  0  0  0  0  0
    1.6100    1.5100    0.7500 H   0  0  0  0  0  0
    2.2000    0.0300    1.5800 H   0  0  0  0  0  0
    3.9300    1.7800    1.4600 H   0  0  0  0  0  0
    3.8100    1.7800   -0.3300 H   0  0  0  0  0  0
    4.5000   -0.4800   -0.3300 H   0  0  0  0  0  0
    5.5800    0.3800    0.5300 H   0  0  0  0  0  0
   -0.2500    1.3700   -0.2300 H   0  0  0  0  0  0
   -1.8700    2.3000   -0.9100 H   0  0  0  0  0  0
   -3.2300    2.7700    0.1600 H   0  0  0  0  0  0
   -1.6900    2.1900    0.8800 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3 12  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 15  1  1  0
 16  1  1  0
 17  1  1  0
 18  4  1  0
 19  5  1  0
 20  7  1  0
 21  7  1  0
 22  8  1  0
 23  8  1  0
 24  9  1  0
 25  9  1  0
 26 10  1  0
 27 10  1  0
 28 11  1  0
 29 14  1  0
 30 14  1  0
 31 14  1  0
M  END

$$$$