X5M
  CCTOOLS-0410261002

 42 43  0  0  1  0  0  0  0  0999 V2000
    5.3180    1.1270   -1.4770 C   0  0  0  0  0
    3.7960    1.2360   -1.3610 C   0  0  0  0  0
    3.3490    0.5580   -0.1370 N   0  0  0  0  0
    3.8420    1.2540    1.0600 C   0  0  0  0  0
    3.5730    0.3930    2.2960 C   0  0  0  0  0
    1.9600    0.4400   -0.1100 C   0  0  0  0  0
    1.1660    1.5810   -0.1450 C   0  0  0  0  0
   -0.2070    1.4690   -0.1180 C   0  0  0  0  0
   -0.8010    0.2050   -0.0560 C   0  0  0  0  0
   -0.0000   -0.9400   -0.0220 C   0  0  0  0  0
    1.3720   -0.8190   -0.0540 C   0  0  0  0  0
    2.2210   -2.0310   -0.0230 N   0  3  0  0  0
    3.4340   -1.9250   -0.0470 O   0  5  0  0  0
    1.7060   -3.1340    0.0260 O   0  0  0  0  0
   -2.2700    0.0810   -0.0270 C   0  0  0  0  0
   -2.8060   -1.0940    0.0360 N   0  0  0  0  0
   -4.1930   -1.2650    0.0400 N   0  0  0  0  0
   -5.0080   -0.2570   -0.3240 C   0  0  0  0  0
   -6.2120   -0.3870   -0.2460 O   0  0  0  0  0
   -4.4160    1.0350   -0.8290 C   0  0  0  0  0
   -3.1190    1.3240   -0.0640 C   0  0  0  0  0
   -3.4500    1.7570    1.3650 C   0  0  0  0  0
    5.7830    1.5980   -0.6110 H   0  0  0  0  0
    5.6050    0.0770   -1.5180 H   0  0  0  0  0
    5.6500    1.6300   -2.3860 H   0  0  0  0  0
    3.5090    2.2870   -1.3200 H   0  0  0  0  0
    3.3310    0.7660   -2.2270 H   0  0  0  0  0
    4.9130    1.4270    0.9640 H   0  0  0  0  0
    3.3270    2.2090    1.1630 H   0  0  0  0  0
    2.5020    0.2190    2.3920 H   0  0  0  0  0
    4.0890   -0.5620    2.1930 H   0  0  0  0  0
    3.9390    0.9090    3.1840 H   0  0  0  0  0
    1.6260    2.5570   -0.1930 H   0  0  0  0  0
   -0.8230    2.3550   -0.1450 H   0  0  0  0  0
   -0.4560   -1.9170    0.0270 H   0  0  0  0  0
   -4.2020    0.9460   -1.8950 H   0  0  0  0  0
   -5.1230    1.8480   -0.6660 H   0  0  0  0  0
   -2.5720    2.1210   -0.5670 H   0  0  0  0  0
   -2.5260    1.9640    1.9060 H   0  0  0  0  0
   -4.0650    2.6570    1.3390 H   0  0  0  0  0
   -3.9950    0.9590    1.8700 H   0  0  0  0  0
   -4.5710   -2.1180    0.3070 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  6  1  0  0  0
  4  3  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  4  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 34  1  0  0  0
  9 15  1  0  0  0
 10  9  1  0  0  0
 10 35  1  0  0  0
 11 10  2  0  0  0
 12 11  1  0  0  0
 12 14  2  0  0  0
 13 12  1  0  0  0
 15 21  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 18 19  2  0  0  0
 20 18  1  0  0  0
 20 36  1  0  0  0
 20 37  1  0  0  0
 21 20  1  0  0  0
 21 38  1  0  0  0
 22 21  1  0  0  0
 22 39  1  0  0  0
 22 40  1  0  0  0
 22 41  1  0  0  0
M  CHG  1  12   1
M  CHG  1  13  -1
M  END
$$$$
