DEU
  CCTOOLS-0807261402

 67 74  0  0  1  0  0  0  0  0999 V2000
   -5.7850   -3.7910   -0.2250 C   0  0  0  0  0
   -4.7750    4.0450   -1.2540 C   0  0  0  0  0
    1.9570   -4.6130    1.3780 C   0  0  0  0  0
    0.6300    4.9910   -0.3670 C   0  0  0  0  0
    3.7810   -2.0950    1.3030 C   0  0  0  0  0
    4.6480   -2.2420    0.0560 C   0  0  0  0  0
    6.1500   -2.2020    0.3200 C   0  0  0  0  0
    6.7520   -3.2890    0.4460 O   0  0  0  0  0
    3.0490    3.1760    0.3460 C   0  0  0  0  0
    3.9080    3.1050   -0.9130 C   0  0  0  0  0
    5.3690    3.4950   -0.7070 C   0  0  0  0  0
    6.1570    2.6180   -0.2940 O   0  0  0  0  0
    2.2970   -2.1180    1.0300 C   0  0  0  0  0
    1.4930   -3.2140    1.0580 C   0  0  0  0  0
    0.2200   -2.8020    0.7480 C   0  0  0  0  0
    0.2100   -1.4490    0.5200 N   0  0  0  0  0
    1.5000   -1.0390    0.6980 C   0  0  0  0  0
   -0.9290   -3.5830    0.6590 C   0  0  0  0  0
   -2.2390   -3.1520    0.3430 C   0  0  0  0  0
   -3.3200   -4.0050    0.2740 C   0  0  0  0  0
   -4.3960   -3.2400   -0.0490 C   0  0  0  0  0
   -3.9550   -1.9370   -0.1740 C   0  0  0  0  0
   -2.6040   -1.8680    0.0690 N   0  5  0  0  0
   -4.7230   -0.8320   -0.4960 C   0  0  0  0  0
   -4.2510    0.4990   -0.6110 C   0  0  0  0  0
   -5.0640    1.5630   -0.9290 C   0  0  0  0  0
   -4.2660    2.6640   -0.9440 C   0  0  0  0  0
   -2.9790    2.2520   -0.6390 C   0  0  0  0  0
   -2.9560    0.9000   -0.4280 N   0  0  0  0  0
   -1.8550    3.0600   -0.5500 C   0  0  0  0  0
   -0.5440    2.6850   -0.2510 C   0  0  0  0  0
    0.5600    3.4990   -0.1580 C   0  0  0  0  0
    1.6260    2.7130    0.1520 C   0  0  0  0  0
    1.1580    1.4160    0.2510 C   0  0  0  0  0
   -0.1850    1.3860    0.0040 N   0  5  0  0  0
    1.9110    0.2830    0.5490 C   0  0  0  0  0
   -1.3710   -0.2620    0.0420 CO  0  0  0  0  0
    5.7020    4.6720   -0.9600 O   0  5  0  0  0
    6.7020   -1.0840    0.3970 O   0  5  0  0  0
   -6.4300   -3.1830    0.1720 H   0  0  0  0  0
   -5.8490   -4.6570    0.2100 H   0  0  0  0  0
   -5.9770   -3.8910   -1.1710 H   0  0  0  0  0
   -4.3480    4.6900   -0.6670 H   0  0  0  0  0
   -5.7370    4.0760   -1.1200 H   0  0  0  0  0
   -4.5720    4.2660   -2.1780 H   0  0  0  0  0
    1.1990   -5.2100    1.4710 H   0  0  0  0  0
    2.4540   -4.6100    2.2120 H   0  0  0  0  0
    2.5310   -4.9350    0.6650 H   0  0  0  0  0
    1.0680    5.4070    0.3930 H   0  0  0  0  0
   -0.2590    5.3650   -0.4570 H   0  0  0  0  0
    1.1390    5.1810   -1.1710 H   0  0  0  0  0
    4.0160   -1.2520    1.7480 H   0  0  0  0  0
    4.0150   -2.8080    1.9350 H   0  0  0  0  0
    4.4210   -1.5210   -0.5750 H   0  0  0  0  0
    4.4300   -3.0970   -0.3820 H   0  0  0  0  0
    3.0570    4.0990    0.6810 H   0  0  0  0  0
    3.4740    2.6330    1.0450 H   0  0  0  0  0
    3.5180    3.6980   -1.5960 H   0  0  0  0  0
    3.8760    2.1860   -1.2670 H   0  0  0  0  0
   -0.8590   -4.5140    0.8200 H   0  0  0  0  0
   -3.3280   -4.9460    0.4230 H   0  0  0  0  0
   -5.6490   -0.9520   -0.6580 H   0  0  0  0  0
   -6.0000    1.5490   -1.1030 H   0  0  0  0  0
   -2.0060    3.9790   -0.7180 H   0  0  0  0  0
    2.8410    0.4290    0.6430 H   0  0  0  0  0
   -7.1940   -2.9550   -1.5630 H   0  0  0  0  0
   -6.1340    4.9200    1.6940 H   0  0  0  0  0
  1 21  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  1 42  1  0  0  0
  2 27  1  0  0  0
  2 43  1  0  0  0
  2 44  1  0  0  0
  2 45  1  0  0  0
  3 14  1  0  0  0
  3 46  1  0  0  0
  3 47  1  0  0  0
  3 48  1  0  0  0
  4 32  1  0  0  0
  4 49  1  0  0  0
  4 50  1  0  0  0
  4 51  1  0  0  0
  5  6  1  0  0  0
  5 13  1  0  0  0
  5 52  1  0  0  0
  5 53  1  0  0  0
  6  7  1  0  0  0
  6 54  1  0  0  0
  6 55  1  0  0  0
  7  8  2  0  0  0
  7 39  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 56  1  0  0  0
  9 57  1  0  0  0
 10 11  1  0  0  0
 10 58  1  0  0  0
 10 59  1  0  0  0
 11 12  2  0  0  0
 11 38  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 18  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 17 36  2  0  0  0
 18 19  2  0  0  0
 18 60  1  0  0  0
 19 20  1  0  0  0
 19 23  1  0  0  0
 20 21  2  0  0  0
 20 61  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 22 24  2  0  0  0
 23 37  1  0  0  0
 24 25  1  0  0  0
 24 62  1  0  0  0
 25 26  1  0  0  0
 25 29  2  0  0  0
 26 27  2  0  0  0
 26 63  1  0  0  0
 27 28  1  0  0  0
 28 29  1  0  0  0
 28 30  2  0  0  0
 29 37  1  0  0  0
 30 31  1  0  0  0
 30 64  1  0  0  0
 31 32  2  0  0  0
 31 35  1  0  0  0
 32 33  1  0  0  0
 33 34  2  0  0  0
 34 35  1  0  0  0
 34 36  1  0  0  0
 35 37  1  0  0  0
 36 65  1  0  0  0
 38 66  1  0  0  0
 39 67  1  0  0  0
M  CHG  1  23  -1
M  CHG  1  35  -1
M  CHG  1  38  -1
M  CHG  1  39  -1
M  END
$$$$
