TDT2MOL 
NC(=N)NCCCc1nc(cnc1N)c2coc3ccccc23
 41 43  0  0  0  0              0      
   -6.0100    1.4200   -1.4000 N   0  0  0  2  0  0
   -5.6900    0.8500   -0.1100 C   0  0  0  0  0  0
   -6.5600    0.8000    0.7900 N   0  0  0  1  0  0
   -4.3500    0.3500    0.1500 N   0  0  0  1  0  0
   -3.3500    0.4200   -0.8900 C   0  0  0  2  0  0
   -1.9800    0.2900   -0.3100 C   0  0  0  2  0  0
   -1.7900   -1.0700    0.3100 C   0  0  0  2  0  0
   -0.4100   -1.1800    0.8800 C   0  0  0  0  0  0
    0.5600   -0.2400    0.5200 N   0  0  0  0  0  0
    1.8600   -0.3300    1.0500 C   0  0  0  0  0  0
    2.1800   -1.3700    1.9300 C   0  0  0  1  0  0
    1.2100   -2.3100    2.2800 N   0  0  0  0  0  0
   -0.0900   -2.2200    1.7600 C   0  0  0  0  0  0
   -1.0600   -3.1600    2.1200 N   0  0  0  2  0  0
    2.8600    0.6500    0.6800 C   0  0  0  0  0  0
    3.0200    1.9100    1.2700 C   0  0  0  1  0  0
    4.0900    2.5600    0.6300 O   0  0  0  0  0  0
    4.5900    1.6900   -0.3400 C   0  0  0  0  0  0
    5.6300    1.8400   -1.2500 C   0  0  0  1  0  0
    5.9200    0.7900   -2.1400 C   0  0  0  1  0  0
    5.1500   -0.3800   -2.1100 C   0  0  0  1  0  0
    4.1000   -0.5200   -1.2000 C   0  0  0  1  0  0
    3.8300    0.5200   -0.3200 C   0  0  0  0  0  0
   -5.3200    1.4600   -2.1200 H   0  0  0  0  0  0
   -6.9300    1.7700   -1.5800 H   0  0  0  0  0  0
   -7.4800    1.1500    0.6100 H   0  0  0  0  0  0
   -4.1400   -0.0400    1.0500 H   0  0  0  0  0  0
   -3.5300   -0.3900   -1.6200 H   0  0  0  0  0  0
   -3.4500    1.3900   -1.4100 H   0  0  0  0  0  0
   -1.2300    0.4200   -1.1100 H   0  0  0  0  0  0
   -1.8200    1.0600    0.4500 H   0  0  0  0  0  0
   -1.9400   -1.8500   -0.4600 H   0  0  0  0  0  0
   -2.5300   -1.2100    1.1200 H   0  0  0  0  0  0
    3.2000   -1.4400    2.3400 H   0  0  0  0  0  0
   -1.9800   -3.0900    1.7400 H   0  0  0  0  0  0
   -0.8300   -3.9000    2.7500 H   0  0  0  0  0  0
    2.4100    2.3300    2.0900 H   0  0  0  0  0  0
    6.2300    2.7600   -1.2800 H   0  0  0  0  0  0
    6.7400    0.9000   -2.8600 H   0  0  0  0  0  0
    5.3800   -1.2000   -2.8100 H   0  0  0  0  0  0
    3.5100   -1.4500   -1.1800 H   0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8 13  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 10 15  1  0
 15 23  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 23  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 24  1  1  0
 25  1  1  0
 26  3  1  0
 27  4  1  0
 28  5  1  0
 29  5  1  0
 30  6  1  0
 31  6  1  0
 32  7  1  0
 33  7  1  0
 34 11  1  0
 35 14  1  0
 36 14  1  0
 37 16  1  0
 38 19  1  0
 39 20  1  0
 40 21  1  0
 41 22  1  0
M  END

$$$$