YOK
  CCTOOLS-0807261403

 48 53  0  0  1  0  0  0  0  0999 V2000
    3.6010    7.1110   -0.4140 O   0  0  0  0  0
    3.8140    5.8630   -0.0170 C   0  0  0  0  0
    4.9350    5.4200    0.1520 O   0  0  0  0  0
    2.5750    5.0410    0.2070 C   0  0  0  0  0
    1.9650    4.4620   -1.0620 C   0  0  0  0  0
    0.9600    3.3570   -0.8110 C   0  0  0  0  0
   -0.3970    3.6390   -0.6410 C   0  0  0  0  0
   -1.3220    2.6410   -0.3890 C   0  0  0  0  0
   -0.9150    1.3070   -0.4030 C   0  0  0  0  0
   -1.6040    0.1100   -0.1110 N   0  0  0  0  0
   -0.6330   -1.5230    1.4210 FE  0  0  0  0  0
   -2.0860   -2.0230    2.4000 O   0  5  0  0  0
   -2.9500   -2.3810    1.5490 C   0  0  0  0  0
   -3.1780   -1.5260    0.4660 C   0  0  0  0  0
   -4.1030   -1.8680   -0.5350 C   0  0  0  0  0
   -4.6760   -3.1230   -0.5520 C   0  0  0  0  0
   -4.3810   -4.0220    0.4490 C   0  0  0  0  0
   -3.5130   -3.6800    1.4730 C   0  0  0  0  0
   -2.6170   -0.2030    0.5720 C   0  0  0  0  0
    0.7410   -2.6780    1.7740 O   0  5  0  0  0
    1.0690   -3.3420    0.7520 C   0  0  0  0  0
    0.9020   -4.7360    0.5610 C   0  0  0  0  0
    1.2100   -5.3280   -0.6540 C   0  0  0  0  0
    1.6350   -4.5670   -1.7230 C   0  0  0  0  0
    1.7570   -3.1990   -1.5800 C   0  0  0  0  0
    1.3920   -2.5860   -0.3710 C   0  0  0  0  0
    1.5700   -1.1820   -0.1170 C   0  0  0  0  0
    0.6430   -0.3840   -0.4060 N   0  0  0  0  0
    0.4460    1.0110   -0.4960 C   0  0  0  0  0
    1.3640    2.0250   -0.7450 C   0  0  0  0  0
    2.7660    7.3660   -0.5180 H   0  0  0  0  0
    1.9150    5.5880    0.6550 H   0  0  0  0  0
    2.7980    4.3150    0.8070 H   0  0  0  0  0
    2.6860    4.1150   -1.6320 H   0  0  0  0  0
    1.5260    5.1860   -1.5610 H   0  0  0  0  0
   -0.6890    4.5350   -0.6850 H   0  0  0  0  0
   -2.2400    2.8490   -0.3000 H   0  0  0  0  0
   -4.2990   -1.2490   -1.2180 H   0  0  0  0  0
   -5.2680   -3.3640   -1.2470 H   0  0  0  0  0
   -4.7720   -4.8810    0.4400 H   0  0  0  0  0
   -3.3200   -4.3020    2.1510 H   0  0  0  0  0
   -3.0100    0.4250    1.1540 H   0  0  0  0  0
    0.6140   -5.2660    1.2830 H   0  0  0  0  0
    1.1270   -6.2640   -0.7470 H   0  0  0  0  0
    1.8410   -4.9780   -2.5460 H   0  0  0  0  0
    2.0430   -2.6710   -2.3060 H   0  0  0  0  0
    2.3740   -0.8690    0.2620 H   0  0  0  0  0
    2.2730    1.8050   -0.8530 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  2  3  2  0  0  0
  2  4  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8  9  2  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 10 19  2  0  0  0
 11 12  1  0  0  0
 11 20  1  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 18  2  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 41  1  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 43  1  0  0  0
 23 24  2  0  0  0
 23 44  1  0  0  0
 24 25  1  0  0  0
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 25 26  2  0  0  0
 25 46  1  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 27 47  1  0  0  0
 28 29  1  0  0  0
 29 30  2  0  0  0
 30 48  1  0  0  0
M  CHG  1  12  -1
M  CHG  1  20  -1
M  END
$$$$
