MRE
  CCTOOLS-0919241036

 35 36  0  0  0  0  0  0  0  0999 V2000
   16.0260   13.1600   22.1870 C   0  0  0  0  0
   16.4660   13.8410   23.4530 C   0  0  0  0  0
   15.6730   14.8960   23.9210 C   0  0  0  0  0
   14.5200   15.3000   23.2130 C   0  0  0  0  0
   14.1300   14.6580   22.0280 C   0  0  0  0  0
   14.8890   13.6050   21.5030 C   0  0  0  0  0
   18.1930   10.3490   21.7130 C   0  0  0  0  0
   17.9340    9.9060   20.3980 C   0  0  0  0  0
   18.8020    8.9860   19.8060 C   0  0  0  0  0
   19.9180    8.5470   20.5100 C   0  0  0  0  0
   20.1910    8.9990   21.7920 C   0  0  0  0  0
   19.3140    9.9110   22.4160 C   0  0  0  0  0
   17.7320   13.4420   24.1930 C   0  0  0  0  0
   20.7000    7.1220   18.6460 C   0  0  0  0  0
   22.0510    7.2080   20.4420 C   0  0  0  0  0
   16.8130   12.1320   21.6700 N   0  0  0  0  0
   17.3880   11.2810   22.3670 N   0  0  0  0  0
   17.9600   12.2220   24.7670 O   0  0  0  0  0
   18.6190   14.3100   24.2270 O   0  0  0  0  0
   20.8150    7.6690   19.9270 N   0  0  0  0  0
   14.5980   13.1380   20.5740 H   0  0  0  0  0
   15.9460   15.4060   24.8330 H   0  0  0  0  0
   13.9270   16.1190   23.5910 H   0  0  0  0  0
   13.2350   14.9790   21.5160 H   0  0  0  0  0
   17.0750   10.2740   19.8560 H   0  0  0  0  0
   19.5070   10.2630   23.4190 H   0  0  0  0  0
   18.6080    8.6180   18.8090 H   0  0  0  0  0
   21.0730    8.6540   22.3120 H   0  0  0  0  0
   18.8330   12.2060   25.1410 H   0  0  0  0  0
   20.6700    7.9320   17.9020 H   0  0  0  0  0
   21.5650    6.4730   18.4460 H   0  0  0  0  0
   19.7750    6.5310   18.5820 H   0  0  0  0  0
   22.7700    7.0890   19.6180 H   0  0  0  0  0
   22.4410    7.9380   21.1660 H   0  0  0  0  0
   21.9010    6.2390   20.9410 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  2  0  0  0
  1 16  1  0  0  0
  2  3  2  0  0  0
  2 13  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4  5  2  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6 21  1  0  0  0
  7  8  1  0  0  0
  7 12  2  0  0  0
  7 17  1  0  0  0
  8  9  2  0  0  0
  8 25  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 10 20  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 12 26  1  0  0  0
 13 18  1  0  0  0
 13 19  2  0  0  0
 14 20  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 14 32  1  0  0  0
 15 20  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
 15 35  1  0  0  0
 16 17  2  0  0  0
 18 29  1  0  0  0
M  END
$$$$