N1H
  CCTOOLS-0919241037

 46 49  0  0  0  0  0  0  0  0999 V2000
    6.3390    1.8910   -0.2990 C   0  0  0  0  0
    6.7780    0.6740    0.2220 C   0  0  0  0  0
    5.8640   -0.3340    0.4620 C   0  0  0  0  0
    4.5230   -0.0960    0.1730 C   0  0  0  0  0
    4.1450    1.1540   -0.3500 C   0  0  0  0  0
    5.0620    2.1000   -0.5620 N   0  0  0  0  0
    7.2610    2.9040   -0.5400 N   0  0  0  0  0
    3.3800   -0.8600    0.2880 N   0  0  0  0  0
    2.7420    1.1060   -0.5430 C   0  0  0  0  0
    2.3080   -0.1180   -0.1500 C   0  0  0  0  0
    0.9050   -0.5810   -0.1880 C   0  0  0  0  0
    0.6090   -1.8870   -0.5810 C   0  0  0  0  0
   -0.7010   -2.3210   -0.6160 C   0  0  0  0  0
   -1.0110   -3.7330   -1.0420 C   0  0  0  0  0
   -1.0080   -4.6340    0.1660 C   0  0  0  0  0
   -1.2620   -5.9450    0.0260 O   0  0  0  0  0
   -0.7780   -4.1770    1.2610 O   0  0  0  0  0
   -1.7290   -1.4690   -0.2620 C   0  0  0  0  0
   -1.4530   -0.1620    0.1330 C   0  0  0  0  0
   -0.1300    0.2860    0.1760 C   0  0  0  0  0
    0.1480    1.5580    0.5600 O   0  0  0  0  0
   -2.5590    0.7510    0.5110 C   0  0  0  0  0
   -2.4990    1.4650    1.7060 C   0  0  0  0  0
   -3.5310    2.3130    2.0530 C   0  0  0  0  0
   -4.6240    2.4550    1.2170 C   0  0  0  0  0
   -4.6890    1.7480    0.0300 C   0  0  0  0  0
   -5.8620    1.9050   -0.8600 N   0  3  0  0  0
   -6.7680    2.6550   -0.5460 O   0  5  0  0  0
   -5.9200    1.2830   -1.9060 O   0  0  0  0  0
   -3.6600    0.9010   -0.3300 C   0  0  0  0  0
    7.8260    0.5200    0.4350 H   0  0  0  0  0
    6.1830   -1.2840    0.8650 H   0  0  0  0  0
    8.2010    2.7610   -0.3460 H   0  0  0  0  0
    6.9650    3.7530   -0.9050 H   0  0  0  0  0
    3.3390   -1.7700    0.6220 H   0  0  0  0  0
    2.1260    1.9030   -0.9340 H   0  0  0  0  0
    1.4070   -2.5600   -0.8590 H   0  0  0  0  0
   -1.9930   -3.7620   -1.5140 H   0  0  0  0  0
   -0.2560   -4.0730   -1.7510 H   0  0  0  0  0
   -1.2600   -6.5230    0.8010 H   0  0  0  0  0
   -2.7510   -1.8170   -0.2930 H   0  0  0  0  0
    0.2710    1.5400    1.5190 H   0  0  0  0  0
   -1.6460    1.3550    2.3600 H   0  0  0  0  0
   -3.4850    2.8670    2.9790 H   0  0  0  0  0
   -5.4300    3.1190    1.4920 H   0  0  0  0  0
   -3.7120    0.3500   -1.2570 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1  7  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3  4  2  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8 10  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 20  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 13 18  2  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 15 17  2  0  0  0
 16 40  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 19 20  2  0  0  0
 19 22  1  0  0  0
 20 21  1  0  0  0
 21 42  1  0  0  0
 22 23  2  0  0  0
 22 30  1  0  0  0
 23 24  1  0  0  0
 23 43  1  0  0  0
 24 25  2  0  0  0
 24 44  1  0  0  0
 25 26  1  0  0  0
 25 45  1  0  0  0
 26 27  1  0  0  0
 26 30  2  0  0  0
 27 28  1  0  0  0
 27 29  2  0  0  0
 30 46  1  0  0  0
M  CHG  1  27   1
M  CHG  1  28  -1
M  END
$$$$
