ME3
  CCTOOLS-0828261229

 54 64  0  0  1  0  0  0  0  0999 V2000
    5.7390   -0.8690    0.8900 O   0  0  0  0  0
    4.7760   -0.1630    0.6970 C   0  0  0  0  0
    4.1770    0.5740    1.6490 O   0  0  0  0  0
    4.7180    0.5710    3.0040 C   0  0  0  0  0
    3.8850    1.4880    3.8370 C   0  0  0  0  0
    4.1440    0.0100   -0.6110 C   0  0  0  0  0
    4.5610   -0.5700   -1.8100 C   0  0  0  0  0
    3.7040   -0.1400   -2.8360 C   0  0  0  0  0
    2.7500    0.7160   -2.2620 C   0  5  0  0  0
    3.0250    0.8020   -0.8930 C   0  0  0  0  0
    2.5310   -1.2580   -1.3840 RU  0  0  0  0  0
    2.6890   -3.0770   -1.7060 C   0  0  0  0  0
    3.6410   -3.2020   -0.9020 O   0  3  0  0  0
    0.3450   -0.9770   -1.9330 N   0  5  0  0  0
   -0.1030   -0.4800   -0.7400 C   0  0  0  0  0
    0.4700   -0.8000    0.5140 C   0  0  0  0  0
    1.5270   -1.6510    0.5260 N   0  0  0  0  0
   -0.0420   -0.2280    1.6870 C   0  0  0  0  0
    0.5620   -0.5790    2.9110 C   0  0  0  0  0
    1.6150   -1.4570    2.9230 C   0  0  0  0  0
    2.0500   -1.9800    1.6980 C   0  0  0  0  0
   -1.1480    0.6690    1.5510 C   0  0  0  0  0
   -1.9270    1.4370    2.5580 C   0  0  0  0  0
   -1.7940    1.4710    3.7700 O   0  0  0  0  0
   -2.8790    2.1620    1.8600 N   0  0  0  0  0
   -2.8140    1.9180    0.5010 C   0  0  0  0  0
   -3.5580    2.4290   -0.3180 O   0  0  0  0  0
   -1.6950    0.9620    0.2810 C   0  0  0  0  0
   -1.1630    0.3840   -0.8810 C   0  0  0  0  0
   -1.4340    0.4310   -2.3010 C   0  0  0  0  0
   -0.4890   -0.4260   -2.9200 C   0  0  0  0  0
   -0.4780   -0.6040   -4.2970 C   0  0  0  0  0
   -1.4150    0.0630   -5.0490 C   0  0  0  0  0
   -2.3570    0.9110   -4.4510 C   0  0  0  0  0
   -3.2440    1.5300   -5.2950 O   0  0  0  0  0
   -2.3720    1.1010   -3.0830 C   0  0  0  0  0
    5.6490    0.8780    2.9950 H   0  0  0  0  0
    4.6920   -0.3360    3.3750 H   0  0  0  0  0
    4.2310    1.5060    4.7440 H   0  0  0  0  0
    2.9660    1.1720    3.8480 H   0  0  0  0  0
    3.9140    2.3840    3.4620 H   0  0  0  0  0
    5.3000   -1.1490   -1.9070 H   0  0  0  0  0
    3.7570   -0.3850   -3.7430 H   0  0  0  0  0
    2.0450    1.1450   -2.7150 H   0  0  0  0  0
    2.5410    1.3130   -0.2660 H   0  0  0  0  0
    1.9790   -2.9960   -2.3100 H   0  0  0  0  0
    0.2350   -0.2150    3.7140 H   0  0  0  0  0
    2.0320   -1.7040    3.7290 H   0  0  0  0  0
    2.7830   -2.5720    1.7020 H   0  0  0  0  0
   -3.4520    2.7120    2.2430 H   0  0  0  0  0
    0.1510   -1.1740   -4.7040 H   0  0  0  0  0
   -1.4240   -0.0480   -5.9880 H   0  0  0  0  0
   -3.7840    2.0290   -4.8500 H   0  0  0  0  0
   -3.0030    1.6650   -2.6850 H   0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  7  1  0  0  0
  6 10  2  0  0  0
  6 11  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  8 43  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
  9 44  1  0  0  0
 10 11  1  0  0  0
 10 45  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 11 17  1  0  0  0
 12 13  3  0  0  0
 12 46  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 15 16  1  0  0  0
 15 29  2  0  0  0
 16 17  1  0  0  0
 16 18  2  0  0  0
 17 21  2  0  0  0
 18 19  1  0  0  0
 18 22  1  0  0  0
 19 20  2  0  0  0
 19 47  1  0  0  0
 20 21  1  0  0  0
 20 48  1  0  0  0
 21 49  1  0  0  0
 22 23  1  0  0  0
 22 28  2  0  0  0
 23 24  2  0  0  0
 23 25  1  0  0  0
 25 26  1  0  0  0
 25 50  1  0  0  0
 26 27  2  0  0  0
 26 28  1  0  0  0
 28 29  1  0  0  0
 29 30  1  0  0  0
 30 31  1  0  0  0
 30 36  2  0  0  0
 31 32  2  0  0  0
 32 33  1  0  0  0
 32 51  1  0  0  0
 33 34  2  0  0  0
 33 52  1  0  0  0
 34 35  1  0  0  0
 34 36  1  0  0  0
 35 53  1  0  0  0
 36 54  1  0  0  0
M  CHG  1   9  -1
M  CHG  1  13   1
M  CHG  1  14  -1
M  END
$$$$
