A1I8P
  CCTOOLS-0206261215

 47 50  0  0  1  0  0  0  0  0999 V2000
    0.4600   -3.9760   -1.0720 C   0  0  0  0  0
    0.8140   -2.8310    1.4200 C   0  0  0  0  0
    2.7700   -0.8610   -0.5950 C   0  0  0  0  0
    4.4150    0.9870   -0.7330 C   0  0  0  0  0
    3.6190    3.0800    0.3390 C   0  0  0  0  0
    2.6490    3.8670    0.9280 C   0  0  0  0  0
    1.3620    3.3820    1.0720 C   0  0  0  0  0
   -5.5710    2.0700   -1.4360 C   0  0  0  0  0
   -4.7200    1.1890   -0.5580 C   0  0  0  0  0
   -3.3780    1.0330   -0.6290 C   0  0  0  0  0
   -3.0860    0.1080    0.4080 C   0  0  0  0  0
   -0.7360    0.0090    0.0810 C   0  0  0  0  0
    0.6210   -0.5280    0.4590 C   0  0  0  0  0
    0.6260   -2.0280    0.3110 C   0  0  0  0  0
    0.4490   -2.6000   -0.9350 C   0  0  0  0  0
    0.6420   -4.7790    0.0380 C   0  0  0  0  0
    0.8190   -4.2070    1.2840 C   0  0  0  0  0
    3.8120   -0.1910   -1.5000 C   0  0  0  0  0
    2.0240    1.3180    0.0240 C   0  0  0  0  0
    3.3120    1.8060   -0.1110 C   0  0  0  0  0
    1.0490    2.1170    0.6240 C   0  0  0  0  0
   -1.8310   -0.3890    0.7580 N   0  0  0  0  0
    1.6410    0.0550   -0.4230 N   0  0  0  0  0
   -4.2300   -0.1830    0.9700 N   0  0  0  0  0
   -0.8420    0.7990   -0.8330 O   0  0  0  0  0
   -5.1440    0.4120    0.4480 O   0  0  0  0  0
    0.3210   -4.4220   -2.0460 H   0  0  0  0  0
    0.9520   -2.3840    2.3930 H   0  0  0  0  0
    2.4240   -1.7850   -1.0580 H   0  0  0  0  0
    3.2170   -1.0820    0.3740 H   0  0  0  0  0
    5.0740    0.6110    0.0500 H   0  0  0  0  0
    4.9880    1.6120   -1.4190 H   0  0  0  0  0
    4.6230    3.4610    0.2290 H   0  0  0  0  0
    2.8950    4.8590    1.2760 H   0  0  0  0  0
    0.6020    3.9950    1.5350 H   0  0  0  0  0
   -5.9020    1.5050   -2.3070 H   0  0  0  0  0
   -6.4400    2.4120   -0.8740 H   0  0  0  0  0
   -4.9870    2.9310   -1.7620 H   0  0  0  0  0
   -2.6890    1.5030   -1.3150 H   0  0  0  0  0
    0.8410   -0.2640    1.4930 H   0  0  0  0  0
    0.3020   -1.9720   -1.8020 H   0  0  0  0  0
    0.6460   -5.8540   -0.0680 H   0  0  0  0  0
    0.9650   -4.8350    2.1500 H   0  0  0  0  0
    4.5950   -0.9060   -1.7530 H   0  0  0  0  0
    3.3320    0.1680   -2.4110 H   0  0  0  0  0
    0.0430    1.7410    0.7380 H   0  0  0  0  0
   -1.7460   -1.0210    1.4890 H   0  0  0  0  0
  1 27  1  0  0  0
  2 14  2  0  0  0
  2 17  1  0  0  0
  2 28  1  0  0  0
  3 18  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5 33  1  0  0  0
  6  5  2  0  0  0
  6 34  1  0  0  0
  7  6  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 11 22  1  0  0  0
 12 13  1  0  0  0
 13 23  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 15  1  2  0  0  0
 15 41  1  0  0  0
 16  1  1  0  0  0
 16 42  1  0  0  0
 17 16  2  0  0  0
 17 43  1  0  0  0
 18  4  1  0  0  0
 18 44  1  0  0  0
 18 45  1  0  0  0
 19 20  2  0  0  0
 20  5  1  0  0  0
 20  4  1  0  0  0
 21  7  2  0  0  0
 21 19  1  0  0  0
 21 46  1  0  0  0
 22 12  1  0  0  0
 22 47  1  0  0  0
 23 19  1  0  0  0
 23  3  1  0  0  0
 24 11  2  0  0  0
 25 12  2  0  0  0
 26  9  1  0  0  0
 26 24  1  0  0  0
M  END
$$$$
