X5V
  CCTOOLS-0410261002

 43 44  0  0  1  0  0  0  0  0999 V2000
   -1.4390   -0.6700    0.2010 N   0  0  0  0  0
   -5.1910    2.6630    0.8480 C   0  0  0  0  0
   -6.8510    1.9330   -0.6890 O   0  0  0  0  0
   -3.9420    2.5120    1.4250 C   0  0  0  0  0
   -3.1150    1.4810    1.0370 C   0  0  0  0  0
   -3.5360    0.5800    0.0540 C   0  0  0  0  0
   -2.6540   -0.5260   -0.3640 C   0  0  0  0  0
   -5.6230    1.7790   -0.1270 C   0  0  0  0  0
   -0.9070   -3.0090    0.5670 C   0  0  0  0  0
    0.8950   -1.3860    0.0500 C   0  0  0  0  0
    1.2090   -0.0600   -0.6440 C   0  0  0  0  0
    2.6740    0.2550   -0.4870 C   0  0  0  0  0
    3.1110    0.9820    0.6040 C   0  0  0  0  0
    4.4560    1.2710    0.7490 C   0  0  0  0  0
    5.3620    0.8330   -0.1980 C   0  0  0  0  0
    4.9250    0.1050   -1.2890 C   0  0  0  0  0
    3.5810   -0.1880   -1.4310 C   0  0  0  0  0
   -4.7990    0.7320   -0.5300 C   0  0  0  0  0
   -1.7930   -2.9790    1.3880 O   0  0  0  0  0
   -0.5630   -1.7680   -0.2150 C   0  0  0  0  0
    6.8010    1.1430   -0.0440 N   0  3  0  0  0
    7.6000    0.7560   -0.8780 O   0  0  0  0  0
    7.1870    1.7840    0.9170 O   0  5  0  0  0
    1.1030   -1.2490    1.4570 O   0  0  0  0  0
   -3.0230   -1.3080   -1.2190 O   0  0  0  0  0
   -5.2180   -0.1370   -1.4850 O   0  0  0  0  0
   -1.1430   -0.0440    0.8800 H   0  0  0  0  0
   -5.8340    3.4720    1.1620 H   0  0  0  0  0
   -6.8560    2.4940   -1.4760 H   0  0  0  0  0
   -3.6130    3.2070    2.1840 H   0  0  0  0  0
   -2.1410    1.3680    1.4910 H   0  0  0  0  0
    1.5510   -2.1640   -0.3400 H   0  0  0  0  0
    0.9650   -0.1370   -1.7040 H   0  0  0  0  0
    0.6160    0.7360   -0.1930 H   0  0  0  0  0
    2.4030    1.3250    1.3440 H   0  0  0  0  0
    4.7970    1.8400    1.6010 H   0  0  0  0  0
    5.6330   -0.2370   -2.0290 H   0  0  0  0  0
    3.2400   -0.7590   -2.2820 H   0  0  0  0  0
   -0.7010   -1.9600   -1.2790 H   0  0  0  0  0
    0.5510   -0.5720    1.8720 H   0  0  0  0  0
   -4.9890    0.1280   -2.3860 H   0  0  0  0  0
   -0.2300   -4.1480    0.3530 O   0  0  0  0  0
   -0.4860   -4.9180    0.8790 H   0  0  0  0  0
  1 20  1  0  0  0
  1 27  1  0  0  0
  2  4  2  0  0  0
  2  8  1  0  0  0
  2 28  1  0  0  0
  3  8  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  7 25  2  0  0  0
  7  1  1  0  0  0
  8 18  2  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 11 34  1  0  0  0
 12 17  2  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 21  1  0  0  0
 16 15  2  0  0  0
 16 37  1  0  0  0
 17 16  1  0  0  0
 17 38  1  0  0  0
 18  6  1  0  0  0
 18 26  1  0  0  0
 19  9  2  0  0  0
 20  9  1  0  0  0
 20 10  1  0  0  0
 20 39  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 24 10  1  0  0  0
 24 40  1  0  0  0
 26 41  1  0  0  0
 42 43  1  0  0  0
M  CHG  1  21   1
M  CHG  1  23  -1
M  END
$$$$
