A1AC8
  CCTOOLS-0410261002

 68 71  0  0  1  0  0  0  0  0999 V2000
    1.7930   -1.4500   -0.1300 C   0  0  0  0  0
    2.3600   -2.8530    0.1050 C   0  0  0  0  0
    2.6250   -0.4310    0.6520 C   0  0  0  0  0
    3.8300   -2.8780   -0.3220 C   0  0  0  0  0
    4.6030   -1.8170    0.4660 C   0  0  0  0  0
    4.8230    0.5650    0.8370 C   0  0  0  0  0
   -2.7250   -0.5070   -0.5880 C   0  0  0  0  0
   -1.8810   -1.6900   -0.2090 C   0  0  0  0  0
   -0.5170   -1.7160   -0.5840 C   0  0  0  0  0
    6.1790    0.6270    0.1800 C   0  0  0  0  0
   -4.1860   -0.8310   -0.4560 C   0  0  0  0  0
   -2.3930   -2.7250    0.4790 C   0  0  0  0  0
   -2.3900    0.6510    0.3160 C   0  0  0  0  0
   -4.6060   -1.9000    0.2430 C   0  0  0  0  0
    6.3790    1.4460   -0.9150 C   0  0  0  0  0
    7.2220   -0.1310    0.6770 C   0  0  0  0  0
   -1.5070   -3.8870    0.8460 C   0  0  0  0  0
   -1.9130    1.8320   -0.2210 C   0  0  0  0  0
   -2.5660    0.5350    1.6820 C   0  0  0  0  0
   -5.1400    0.0070   -1.0780 C   0  0  0  0  0
   -6.0820   -2.1810    0.3570 C   0  0  0  0  0
    7.6220    1.5030   -1.5170 C   0  0  0  0  0
    8.4660   -0.0730    0.0750 C   0  0  0  0  0
   -1.6050    2.8940    0.6090 C   0  0  0  0  0
   -2.2600    1.5970    2.5120 C   0  0  0  0  0
    8.6640    0.7410   -1.0250 C   0  0  0  0  0
   -1.7760    2.7760    1.9750 C   0  0  0  0  0
   -6.7360    1.7580   -1.0500 C   0  0  0  0  0
    4.0230   -0.4940    0.2070 N   0  0  0  0  0
   -3.7100   -2.7360    0.8510 N   0  0  0  0  0
   -1.0930    4.1580    0.0340 N   0  3  0  0  0
    0.4360   -1.4030    0.3170 O   0  0  0  0  0
   -0.2050   -2.0220   -1.7200 O   0  0  0  0  0
   -5.7860    0.9460   -0.3560 O   0  0  0  0  0
   -5.3780   -0.1190   -2.2650 O   0  0  0  0  0
   -0.9420    4.2630   -1.1710 O   0  5  0  0  0
   -0.8220    5.0940    0.7650 O   0  0  0  0  0
    1.8330   -1.2140   -1.1940 H   0  0  0  0  0
    2.2830   -3.1040    1.1620 H   0  0  0  0  0
    1.7970   -3.5770   -0.4840 H   0  0  0  0  0
    2.2320    0.5700    0.4750 H   0  0  0  0  0
    2.5720   -0.6600    1.7160 H   0  0  0  0  0
    4.2520   -3.8620   -0.1170 H   0  0  0  0  0
    3.9040   -2.6650   -1.3880 H   0  0  0  0  0
    4.5410   -2.0390    1.5310 H   0  0  0  0  0
    5.6480   -1.8230    0.1540 H   0  0  0  0  0
    4.9440    0.3470    1.8980 H   0  0  0  0  0
    4.3180    1.5230    0.7170 H   0  0  0  0  0
   -2.5110   -0.2290   -1.6200 H   0  0  0  0  0
    5.5640    2.0420   -1.3000 H   0  0  0  0  0
    7.0670   -0.7680    1.5350 H   0  0  0  0  0
   -1.1070   -3.7370    1.8480 H   0  0  0  0  0
   -2.0880   -4.8090    0.8210 H   0  0  0  0  0
   -0.6850   -3.9560    0.1330 H   0  0  0  0  0
   -1.7790    1.9250   -1.2890 H   0  0  0  0  0
   -2.9440   -0.3860    2.1010 H   0  0  0  0  0
   -6.4150   -2.7380   -0.5190 H   0  0  0  0  0
   -6.2720   -2.7690    1.2550 H   0  0  0  0  0
   -6.6280   -1.2400    0.4170 H   0  0  0  0  0
    7.7780    2.1430   -2.3730 H   0  0  0  0  0
    9.2810   -0.6650    0.4630 H   0  0  0  0  0
   -2.3980    1.5060    3.5790 H   0  0  0  0  0
    9.6350    0.7850   -1.4960 H   0  0  0  0  0
   -1.5350    3.6050    2.6240 H   0  0  0  0  0
   -6.2350    2.2990   -1.8520 H   0  0  0  0  0
   -7.5170    1.1230   -1.4710 H   0  0  0  0  0
   -7.1820    2.4690   -0.3550 H   0  0  0  0  0
   -4.0090   -3.3390    1.5490 H   0  0  0  0  0
  1 32  1  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  2 39  1  0  0  0
  2 40  1  0  0  0
  3  1  1  0  0  0
  3 41  1  0  0  0
  3 42  1  0  0  0
  4  2  1  0  0  0
  4 43  1  0  0  0
  4 44  1  0  0  0
  5  4  1  0  0  0
  5 45  1  0  0  0
  5 46  1  0  0  0
  6 29  1  0  0  0
  6 47  1  0  0  0
  6 48  1  0  0  0
  7  8  1  0  0  0
  7 49  1  0  0  0
  8 12  2  0  0  0
  9  8  1  0  0  0
  9 33  2  0  0  0
 10  6  1  0  0  0
 11 14  2  0  0  0
 11  7  1  0  0  0
 12 17  1  0  0  0
 13  7  1  0  0  0
 13 19  2  0  0  0
 14 30  1  0  0  0
 15 10  2  0  0  0
 15 50  1  0  0  0
 16 10  1  0  0  0
 16 51  1  0  0  0
 17 52  1  0  0  0
 17 53  1  0  0  0
 17 54  1  0  0  0
 18 13  1  0  0  0
 18 55  1  0  0  0
 19 56  1  0  0  0
 20 11  1  0  0  0
 21 14  1  0  0  0
 21 57  1  0  0  0
 21 58  1  0  0  0
 21 59  1  0  0  0
 22 15  1  0  0  0
 22 60  1  0  0  0
 23 16  2  0  0  0
 23 61  1  0  0  0
 24 18  2  0  0  0
 24 27  1  0  0  0
 25 19  1  0  0  0
 25 62  1  0  0  0
 26 22  2  0  0  0
 26 23  1  0  0  0
 26 63  1  0  0  0
 27 25  2  0  0  0
 27 64  1  0  0  0
 28 34  1  0  0  0
 28 65  1  0  0  0
 28 66  1  0  0  0
 28 67  1  0  0  0
 29  3  1  0  0  0
 29  5  1  0  0  0
 30 12  1  0  0  0
 30 68  1  0  0  0
 31 24  1  0  0  0
 32  9  1  0  0  0
 34 20  1  0  0  0
 35 20  2  0  0  0
 36 31  1  0  0  0
 37 31  2  0  0  0
M  CHG  1  31   1
M  CHG  1  36  -1
M  END
$$$$
