A1C0E
  CCTOOLS-0612260951

 54 57  0  0  0  0  0  0  0  0999 V2000
   -5.8290    1.8920    0.1690 C   0  0  0  0  0
   -5.0270    1.4410    1.3910 C   0  0  0  0  0
   -4.7010   -0.0490    1.2660 C   0  0  0  0  0
   -3.8770   -0.2860   -0.0010 C   0  0  0  0  0
   -4.6790    0.1650   -1.2230 C   0  0  0  0  0
   -5.0040    1.6550   -1.0980 C   0  0  0  0  0
   -2.8320   -2.1960    1.0600 C   0  0  0  0  0
   -1.4730   -1.4970    1.1320 C   0  0  0  0  0
   -1.4510   -1.2900   -1.2790 C   0  0  0  0  0
   -2.8100   -1.9890   -1.3520 C   0  0  0  0  0
    0.5530   -1.2100   -0.0390 C   0  0  0  0  0
    0.7130    0.1420    0.0450 C   0  0  0  0  0
    1.9860    0.7310    0.1070 C   0  0  0  0  0
    3.1350   -0.0030    0.0860 C   0  0  0  0  0
    3.0740   -1.4030    0.0010 C   0  0  0  0  0
    1.7410   -2.0560   -0.0590 C   0  0  0  0  0
    0.8620    2.9330    0.2150 C   0  0  0  0  0
    1.2410    4.4120    0.3110 C   0  0  0  0  0
   -3.5650   -1.7170   -0.1200 N   0  0  0  0  0
   -0.7180   -1.7700   -0.0990 N   0  0  0  0  0
    2.0410   -3.3260   -0.1230 N   0  0  0  0  0
    3.8960   -2.4240   -0.0430 N   0  0  0  0  0
    4.4490    0.6770    0.1530 N   0  3  0  0  0
    2.0790    2.1180    0.1910 N   0  0  0  0  0
    3.2490   -3.4510   -0.1030 O   0  0  0  0  0
    4.9690    0.8950    1.2330 O   0  5  0  0  0
    5.0110    1.0200   -0.8720 O   0  0  0  0  0
    1.9350    4.8040   -0.8740 O   0  0  0  0  0
   -6.7550    1.3220    0.1120 H   0  0  0  0  0
   -6.0600    2.9540    0.2580 H   0  0  0  0  0
   -4.1000    2.0120    1.4490 H   0  0  0  0  0
   -5.6140    1.6100    2.2940 H   0  0  0  0  0
   -4.1300   -0.3700    2.1370 H   0  0  0  0  0
   -5.6280   -0.6190    1.2090 H   0  0  0  0  0
   -2.9500    0.2850    0.0570 H   0  0  0  0  0
   -4.0920   -0.0040   -2.1250 H   0  0  0  0  0
   -5.6060   -0.4060   -1.2800 H   0  0  0  0  0
   -5.5760    1.9760   -1.9690 H   0  0  0  0  0
   -4.0770    2.2260   -1.0410 H   0  0  0  0  0
   -2.6840   -3.2730    0.9830 H   0  0  0  0  0
   -3.4050   -1.9720    1.9590 H   0  0  0  0  0
   -1.6220   -0.4230    1.2370 H   0  0  0  0  0
   -0.9160   -1.8730    1.9910 H   0  0  0  0  0
   -0.8780   -1.5150   -2.1790 H   0  0  0  0  0
   -1.5990   -0.2130   -1.2020 H   0  0  0  0  0
   -3.3670   -1.6140   -2.2100 H   0  0  0  0  0
   -2.6610   -3.0640   -1.4570 H   0  0  0  0  0
   -0.1610    0.7750    0.0650 H   0  0  0  0  0
    0.2560    2.6570    1.0780 H   0  0  0  0  0
    0.2920    2.7630   -0.6990 H   0  0  0  0  0
    0.3370    5.0130    0.4180 H   0  0  0  0  0
    1.8840    4.5670    1.1780 H   0  0  0  0  0
    2.9490    2.5440    0.2350 H   0  0  0  0  0
    2.2070    5.7320   -0.8820 H   0  0  0  0  0
  1  6  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  1  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  2  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  3  1  0  0  0
  4 35  1  0  0  0
  5  4  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6  5  1  0  0  0
  6 38  1  0  0  0
  6 39  1  0  0  0
  7 19  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  8  7  1  0  0  0
  8 42  1  0  0  0
  8 43  1  0  0  0
  9 20  1  0  0  0
  9 44  1  0  0  0
  9 45  1  0  0  0
 10  9  1  0  0  0
 10 46  1  0  0  0
 10 47  1  0  0  0
 11 20  1  0  0  0
 11 16  1  0  0  0
 12 11  2  0  0  0
 12 48  1  0  0  0
 13 12  1  0  0  0
 14 13  2  0  0  0
 15 14  1  0  0  0
 15 22  2  0  0  0
 16 15  1  0  0  0
 17 24  1  0  0  0
 17 49  1  0  0  0
 17 50  1  0  0  0
 18 17  1  0  0  0
 18 51  1  0  0  0
 18 52  1  0  0  0
 19  4  1  0  0  0
 19 10  1  0  0  0
 20  8  1  0  0  0
 21 16  2  0  0  0
 22 25  1  0  0  0
 23 14  1  0  0  0
 24 13  1  0  0  0
 24 53  1  0  0  0
 25 21  1  0  0  0
 26 23  1  0  0  0
 27 23  2  0  0  0
 28 18  1  0  0  0
 28 54  1  0  0  0
M  CHG  1  23   1
M  CHG  1  26  -1
M  END
$$$$
