936
  CCTOOLS-0919241036

 42 44  0  0  0  0  0  0  0  0999 V2000
    4.5610    1.2960    0.0810 C   0  0  0  0  0
    4.5200   -0.1720    0.1100 C   0  0  0  0  0
    3.2380   -0.8790   -0.0360 C   0  0  0  0  0
    2.0680   -0.1490   -0.2010 C   0  0  0  0  0
    2.1230    1.3260   -0.2230 C   0  0  0  0  0
    3.4310    2.0130   -0.0790 C   0  0  0  0  0
    2.9010   -2.2030   -0.0490 N   0  0  0  0  0
    1.5610   -2.3180   -0.2160 C   0  0  0  0  0
    1.0170   -1.0800   -0.3130 C   0  0  0  0  0
    1.1050    1.9730   -0.3610 O   0  0  0  0  0
    5.5490   -0.8050    0.2540 O   0  0  0  0  0
    3.8390   -3.3190    0.0960 C   0  0  0  0  0
   -0.4430   -0.7590   -0.5040 C   0  0  0  0  0
   -1.0730   -0.6280    0.7710 O   0  0  0  0  0
   -2.3800   -0.3400    0.5360 C   0  0  0  0  0
   -3.2530   -0.1540    1.5980 C   0  0  0  0  0
   -4.5810    0.1390    1.3560 C   0  0  0  0  0
   -5.0410    0.2460    0.0570 C   0  0  0  0  0
   -4.1730    0.0610   -1.0040 C   0  0  0  0  0
   -2.8430   -0.2260   -0.7670 C   0  0  0  0  0
   -6.4650    0.5590   -0.2000 N   0  3  0  0  0
   -7.2300    0.7220    0.7340 O   0  5  0  0  0
   -6.8710    0.6540   -1.3440 O   0  0  0  0  0
    0.7970   -3.6160   -0.2820 C   0  0  0  0  0
    3.4880    3.3650   -0.1020 O   0  0  0  0  0
    4.8410    3.7260    0.1830 C   0  0  0  0  0
    5.5060    1.8070    0.1890 H   0  0  0  0  0
    3.9420   -3.5720    1.1510 H   0  0  0  0  0
    3.4610   -4.1840   -0.4500 H   0  0  0  0  0
    4.8100   -3.0320   -0.3060 H   0  0  0  0  0
   -0.5400    0.1760   -1.0560 H   0  0  0  0  0
   -0.9210   -1.5630   -1.0650 H   0  0  0  0  0
   -2.8940   -0.2390    2.6140 H   0  0  0  0  0
   -5.2610    0.2830    2.1830 H   0  0  0  0  0
   -4.5350    0.1460   -2.0180 H   0  0  0  0  0
   -2.1650   -0.3700   -1.5960 H   0  0  0  0  0
    0.4840   -3.9050    0.7210 H   0  0  0  0  0
   -0.0820   -3.4880   -0.9140 H   0  0  0  0  0
    1.4370   -4.3920   -0.7020 H   0  0  0  0  0
    4.9370    4.8120    0.1750 H   0  0  0  0  0
    5.1200    3.3440    1.1650 H   0  0  0  0  0
    5.4990    3.2980   -0.5740 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  2  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 11  2  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 10  2  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 12  1  0  0  0
  8  9  2  0  0  0
  8 24  1  0  0  0
  9 13  1  0  0  0
 12 28  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 13 32  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 17 18  2  0  0  0
 17 34  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 35  1  0  0  0
 20 36  1  0  0  0
 21 22  1  0  0  0
 21 23  2  0  0  0
 24 37  1  0  0  0
 24 38  1  0  0  0
 24 39  1  0  0  0
 25 26  1  0  0  0
 26 40  1  0  0  0
 26 41  1  0  0  0
 26 42  1  0  0  0
M  CHG  1  21   1
M  CHG  1  22  -1
M  END
$$$$
