I62
  CCTOOLS-0410261002

 42 42  0  0  0  0  0  0  0  0999 V2000
   -1.5140    1.1990   -0.0410 C   0  0  0  0  0
   -2.6400    1.9800    0.1160 C   0  0  0  0  0
   -5.1170    2.2500    0.3520 C   0  0  0  0  0
   -3.8910    1.3910    0.1800 C   0  0  0  0  0
   -4.0210    0.0170    0.0860 C   0  0  0  0  0
   -2.9020   -0.7760   -0.0710 C   0  0  0  0  0
   -1.6390   -0.1880   -0.1420 C   0  0  0  0  0
   -0.4360   -1.0310   -0.3110 C   0  0  0  0  0
    1.9750   -1.2950   -0.5470 C   0  0  0  0  0
    3.2000   -0.4190   -0.5930 C   0  0  0  0  0
    4.1970   -0.6340    0.2440 C   0  0  0  0  0
    5.4110    1.2640   -0.7740 C   0  0  0  0  0
    4.8340    2.5420   -0.1610 C   0  0  0  0  0
    6.4330   -0.0650    1.1300 C   0  0  0  0  0
    7.4250   -1.0460    0.5020 C   0  0  0  0  0
   -5.3620   -0.6040    0.1560 N   0  3  0  0  0
    0.7830   -0.4600   -0.3790 N   0  0  0  0  0
    5.3270    0.1740    0.2010 N   0  0  0  0  0
   -6.3180   -0.0490   -0.3560 O   0  0  0  0  0
   -5.5110   -1.6710    0.7240 O   0  5  0  0  0
   -0.5470   -2.2390   -0.3890 O   0  0  0  0  0
   -0.5390    1.6600   -0.0910 H   0  0  0  0  0
   -2.5460    3.0530    0.1890 H   0  0  0  0  0
   -5.5600    2.4510   -0.6230 H   0  0  0  0  0
   -5.8400    1.7300    0.9800 H   0  0  0  0  0
   -4.8370    3.1920    0.8250 H   0  0  0  0  0
   -3.0060   -1.8480   -0.1480 H   0  0  0  0  0
    1.8960   -1.8590   -1.4770 H   0  0  0  0  0
    2.0540   -1.9870    0.2920 H   0  0  0  0  0
    3.2620    0.3850   -1.3120 H   0  0  0  0  0
    4.1350   -1.4380    0.9620 H   0  0  0  0  0
    4.8410    1.0000   -1.6650 H   0  0  0  0  0
    6.4530    1.4300   -1.0440 H   0  0  0  0  0
    3.7910    2.3760    0.1100 H   0  0  0  0  0
    5.4030    2.8060    0.7310 H   0  0  0  0  0
    4.8960    3.3530   -0.8860 H   0  0  0  0  0
    6.0450   -0.4850    2.0580 H   0  0  0  0  0
    6.9390    0.8770    1.3430 H   0  0  0  0  0
    6.9190   -1.9880    0.2900 H   0  0  0  0  0
    7.8130   -0.6250   -0.4260 H   0  0  0  0  0
    8.2490   -1.2240    1.1930 H   0  0  0  0  0
    0.8710    0.5040   -0.3170 H   0  0  0  0  0
  1  2  2  0  0  0
  1 22  1  0  0  0
  2 23  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  2  1  0  0  0
  4  3  1  0  0  0
  5  4  2  0  0  0
  6  7  2  0  0  0
  6  5  1  0  0  0
  6 27  1  0  0  0
  7  1  1  0  0  0
  8 17  1  0  0  0
  8  7  1  0  0  0
  9 10  1  0  0  0
  9 17  1  0  0  0
  9 28  1  0  0  0
  9 29  1  0  0  0
 10 11  2  0  0  0
 10 30  1  0  0  0
 11 18  1  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 18  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 15 41  1  0  0  0
 16  5  1  0  0  0
 16 20  1  0  0  0
 17 42  1  0  0  0
 18 12  1  0  0  0
 19 16  2  0  0  0
 21  8  2  0  0  0
M  CHG  1  16   1
M  CHG  1  20  -1
M  END
$$$$
