80R
  CCTOOLS-0919241031

 30 32  0  0  0  0  0  0  0  0999 V2000
   -1.9260    1.4470   -0.4430 C   0  0  0  0  0
    1.6600   -0.1190    0.4720 C   0  0  0  0  0
   -3.4650   -0.2850    0.1730 C   0  0  0  0  0
    3.8620   -0.4100   -0.4590 C   0  0  0  0  0
    2.9700    0.3120    0.3370 C   0  0  0  0  0
   -1.1320   -0.7870   -0.0810 C   0  0  0  0  0
    4.9410    1.3360    0.3950 C   0  0  0  0  0
    3.4370   -1.5560   -1.1130 C   0  0  0  0  0
    2.1300   -1.9800   -0.9810 C   0  0  0  0  0
   -0.8850    0.5400   -0.4100 C   0  0  0  0  0
    1.2400   -1.2660   -0.1850 C   0  0  0  0  0
   -3.2140    1.0360   -0.1500 C   0  0  0  0  0
   -2.4290   -1.1990    0.2030 C   0  0  0  0  0
    5.0850    0.2590   -0.4000 N   0  0  0  0  0
    3.6770    1.3950    0.8540 N   0  0  0  0  0
   -0.0810   -1.7070   -0.0460 N   0  0  0  0  0
   -4.3250    2.0130   -0.1810 N   0  3  0  0  0
   -5.4600    1.6530    0.0780 O   0  0  0  0  0
    5.8200    2.1350    0.6580 O   0  0  0  0  0
   -4.1060    3.1770   -0.4640 O   0  5  0  0  0
   -2.7440   -2.8560    0.6150 CL  0  0  0  0  0
   -1.7340    2.4800   -0.6940 H   0  0  0  0  0
    0.9690    0.4340    1.0900 H   0  0  0  0  0
   -4.4710   -0.6030    0.4030 H   0  0  0  0  0
    4.1260   -2.1140   -1.7300 H   0  0  0  0  0
    1.7990   -2.8720   -1.4920 H   0  0  0  0  0
    0.1200    0.8620   -0.6400 H   0  0  0  0  0
    5.9000   -0.0070   -0.8540 H   0  0  0  0  0
    3.3190    2.0760    1.4450 H   0  0  0  0  0
   -0.2670   -2.6520    0.0740 H   0  0  0  0  0
  1 12  2  0  0  0
  1 22  1  0  0  0
  2 11  2  0  0  0
  2 23  1  0  0  0
  3 12  1  0  0  0
  3 24  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  2  1  0  0  0
  6 10  2  0  0  0
  6 13  1  0  0  0
  7 14  1  0  0  0
  7 15  1  0  0  0
  8  9  2  0  0  0
  8 25  1  0  0  0
  9 11  1  0  0  0
  9 26  1  0  0  0
 10  1  1  0  0  0
 10 27  1  0  0  0
 11 16  1  0  0  0
 12 17  1  0  0  0
 13  3  2  0  0  0
 14  4  1  0  0  0
 14 28  1  0  0  0
 15  5  1  0  0  0
 15 29  1  0  0  0
 16  6  1  0  0  0
 16 30  1  0  0  0
 17 20  1  0  0  0
 17 18  2  0  0  0
 19  7  2  0  0  0
 21 13  1  0  0  0
M  CHG  1  17   1
M  CHG  1  20  -1
M  END
$$$$
