U68
  CCTOOLS-0410261002

 43 45  0  0  1  0  0  0  0  0999 V2000
    5.8820    1.1160   -0.0480 C   0  0  0  0  0
    5.8140    0.3530    1.1220 C   0  0  0  0  0
    4.7310   -0.4270    1.3870 C   0  0  0  0  0
    3.6620   -0.4680    0.4750 C   0  0  0  0  0
    3.7280    0.3060   -0.7110 C   0  0  0  0  0
    4.8610    1.0990   -0.9550 C   0  0  0  0  0
    2.5290   -1.2620    0.7170 C   0  0  0  0  0
    1.5120   -1.2790   -0.1880 C   0  0  0  0  0
    0.1410   -3.1560   -1.0510 C   0  0  0  0  0
    1.5770   -0.5180   -1.3540 C   0  0  0  0  0
    8.0090    1.8650    0.7030 C   0  0  0  0  0
    6.9750    1.8890   -0.2820 O   0  0  0  0  0
   -3.2100   -0.9810    0.2810 C   0  0  0  0  0
   -6.5860    1.5830    0.0340 N   0  3  0  0  0
   -6.9300    2.0340   -1.0430 O   0  0  0  0  0
   -3.6030   -0.4660   -0.9450 C   0  0  0  0  0
   -7.2100    1.8670    1.0410 O   0  5  0  0  0
   -4.7020    0.3680   -1.0230 C   0  0  0  0  0
   -5.4090    0.6890    0.1200 C   0  0  0  0  0
   -5.0190    0.1780    1.3440 C   0  0  0  0  0
   -3.9210   -0.6560    1.4270 C   0  0  0  0  0
    2.6580    0.2620   -1.6220 C   0  0  0  0  0
    0.2990   -2.1330    0.0750 C   0  0  0  0  0
   -0.9270   -1.2580    0.1340 C   0  0  0  0  0
    6.6340    0.3820    1.8250 H   0  0  0  0  0
    4.6930   -1.0120    2.2940 H   0  0  0  0  0
    4.9240    1.6930   -1.8550 H   0  0  0  0  0
    2.4650   -1.8570    1.6160 H   0  0  0  0  0
    1.0280   -3.7880   -1.0940 H   0  0  0  0  0
   -0.7370   -3.7730   -0.8610 H   0  0  0  0  0
    0.0200   -2.6350   -2.0010 H   0  0  0  0  0
    0.7560   -0.5500   -2.0560 H   0  0  0  0  0
    7.6090    2.2050    1.6580 H   0  0  0  0  0
    8.3870    0.8480    0.8090 H   0  0  0  0  0
    8.8210    2.5230    0.3940 H   0  0  0  0  0
   -3.0510   -0.7170   -1.8390 H   0  0  0  0  0
   -5.0080    0.7690   -1.9780 H   0  0  0  0  0
   -5.5730    0.4310    2.2360 H   0  0  0  0  0
   -3.6170   -1.0560    2.3840 H   0  0  0  0  0
    2.6950    0.8470   -2.5300 H   0  0  0  0  0
    0.4200   -2.6540    1.0250 H   0  0  0  0  0
   -0.8260   -0.0640   -0.0210 O   0  0  0  0  0
   -2.1320   -1.8060    0.3600 O   0  0  0  0  0
  1  6  1  0  0  0
  2  1  2  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5 22  1  0  0  0
  6  5  2  0  0  0
  6 27  1  0  0  0
  7  8  2  0  0  0
  7 28  1  0  0  0
  8 10  1  0  0  0
  8 23  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
  9 31  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
 11 35  1  0  0  0
 12  1  1  0  0  0
 13 21  2  0  0  0
 13 16  1  0  0  0
 13 43  1  0  0  0
 14 15  2  0  0  0
 16 18  2  0  0  0
 16 36  1  0  0  0
 17 14  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 14  1  0  0  0
 20 19  2  0  0  0
 20 38  1  0  0  0
 21 20  1  0  0  0
 21 39  1  0  0  0
 22 10  2  0  0  0
 22 40  1  0  0  0
 23  9  1  0  0  0
 23 24  1  0  0  0
 23 41  1  0  0  0
 24 42  2  0  0  0
 43 24  1  0  0  0
M  CHG  1  14   1
M  CHG  1  17  -1
M  END
$$$$
