TDT2MOL 
C1CCC2(CC1)CCc3c(C2)[nH]c4ccccc34
 39 42  0  0  0  0              0      
   -3.8400   -0.7600   -0.7900 C   0  0  0  2  0  0
   -3.8700    0.3200    0.2400 C   0  0  0  2  0  0
   -2.7900    0.1000    1.2500 C   0  0  0  2  0  0
   -1.4400    0.0300    0.6200 C   0  0  0  0  0  0
   -1.4400   -1.0700   -0.4100 C   0  0  0  2  0  0
   -2.4900   -0.8000   -1.4400 C   0  0  0  2  0  0
   -1.0700    1.3300   -0.0300 C   0  0  0  2  0  0
    0.1900    1.2100   -0.8300 C   0  0  0  2  0  0
    1.2700    0.4900   -0.0500 C   0  0  0  0  0  0
    0.9700   -0.2300    1.1300 C   0  0  0  0  0  0
   -0.4100   -0.3000    1.6900 C   0  0  0  2  0  0
    2.1600   -0.7800    1.6000 N   0  0  0  1  0  0
    3.1800   -0.4100    0.7300 C   0  0  0  0  0  0
    4.5400   -0.7000    0.7400 C   0  0  0  1  0  0
    5.3600   -0.1900   -0.2800 C   0  0  0  1  0  0
    4.8000    0.5900   -1.3000 C   0  0  0  1  0  0
    3.4300    0.8700   -1.3100 C   0  0  0  1  0  0
    2.6200    0.3700   -0.2900 C   0  0  0  0  0  0
   -4.0400   -1.7300   -0.3200 H   0  0  0  0  0  0
   -4.6100   -0.5700   -1.5600 H   0  0  0  0  0  0
   -3.7600    1.3100   -0.2400 H   0  0  0  0  0  0
   -4.8600    0.3200    0.7400 H   0  0  0  0  0  0
   -2.8000    0.9200    1.9900 H   0  0  0  0  0  0
   -2.9900   -0.8500    1.7800 H   0  0  0  0  0  0
   -1.6600   -2.0300    0.0800 H   0  0  0  0  0  0
   -0.4500   -1.1300   -0.8800 H   0  0  0  0  0  0
   -2.2900    0.1700   -1.9300 H   0  0  0  0  0  0
   -2.4700   -1.6000   -2.2000 H   0  0  0  0  0  0
   -0.9500    2.1000    0.7600 H   0  0  0  0  0  0
   -1.8800    1.6800   -0.6900 H   0  0  0  0  0  0
    0.0200    0.6100   -1.7400 H   0  0  0  0  0  0
    0.5600    2.1900   -1.1400 H   0  0  0  0  0  0
   -0.6100   -1.3000    2.1000 H   0  0  0  0  0  0
   -0.4900    0.4400    2.5000 H   0  0  0  0  0  0
    2.2600   -1.3400    2.4300 H   0  0  0  0  0  0
    4.9800   -1.3100    1.5400 H   0  0  0  0  0  0
    6.4300   -0.4100   -0.2800 H   0  0  0  0  0  0
    5.4500    0.9800   -2.1000 H   0  0  0  0  0  0
    3.0000    1.4900   -2.1200 H   0  0  0  0  0  0
  1  6  1  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4 11  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 18  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 18  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 19  1  1  0
 20  1  1  0
 21  2  1  0
 22  2  1  0
 23  3  1  0
 24  3  1  0
 25  5  1  0
 26  5  1  0
 27  6  1  0
 28  6  1  0
 29  7  1  0
 30  7  1  0
 31  8  1  0
 32  8  1  0
 33 11  1  0
 34 11  1  0
 35 12  1  0
 36 14  1  0
 37 15  1  0
 38 16  1  0
 39 17  1  0
M  END

$$$$