A1JKK
  CCTOOLS-0731261038

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.4770    0.7830    0.0010 C   0  0  0  0  0
   -1.3200    2.7730    0.0010 C   0  0  0  0  0
    1.9360    0.5440    1.2100 C   0  0  0  0  0
    1.9350    0.5480   -1.2100 C   0  0  0  0  0
    3.2620   -0.2150   -1.1990 C   0  0  0  0  0
    3.2630   -0.2190    1.1960 C   0  0  0  0  0
   -1.2490    0.0950    0.0000 C   0  0  0  0  0
   -1.5790   -1.3290   -0.0010 C   0  0  0  0  0
   -2.9200   -1.4170   -0.0010 C   0  0  0  0  0
   -0.0600    0.8400    0.0010 C   0  0  0  0  0
    1.1710    0.2090   -0.0000 N   0  0  0  0  0
   -3.4680   -0.1590   -0.0040 N   0  0  0  0  0
   -2.4600    2.1150    0.0020 N   0  0  0  0  0
   -0.1470    2.1670    0.0030 N   0  0  0  0  0
    3.9770    0.0990   -0.0010 O   0  0  0  0  0
   -0.4550   -2.6520    0.0010 CL  0  0  0  0  0
   -1.3450    3.8520    0.0010 H   0  0  0  0  0
    1.3620    0.2620    2.0930 H   0  0  0  0  0
    2.1320    1.6160    1.2310 H   0  0  0  0  0
    2.1320    1.6200   -1.2270 H   0  0  0  0  0
    1.3610    0.2690   -2.0930 H   0  0  0  0  0
    3.0660   -1.2870   -1.2360 H   0  0  0  0  0
    3.8560    0.0750   -2.0660 H   0  0  0  0  0
    3.8580    0.0700    2.0620 H   0  0  0  0  0
    3.0670   -1.2910    1.2300 H   0  0  0  0  0
   -3.4820   -2.3390   -0.0020 H   0  0  0  0  0
   -4.4180    0.0340   -0.0050 H   0  0  0  0  0
  1 13  2  0  0  0
  2 13  1  0  0  0
  2 17  1  0  0  0
  3 11  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4 11  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5  4  1  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  6  3  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  7  1  1  0  0  0
  8  9  2  0  0  0
  8  7  1  0  0  0
  9 12  1  0  0  0
  9 26  1  0  0  0
 10  7  2  0  0  0
 10 14  1  0  0  0
 11 10  1  0  0  0
 12  1  1  0  0  0
 12 27  1  0  0  0
 14  2  2  0  0  0
 15  6  1  0  0  0
 15  5  1  0  0  0
 16  8  1  0  0  0
M  END
$$$$
