YOM
  CCTOOLS-0807261403

 39 44  0  0  0  0  0  0  0  0999 V2000
   -2.6690    3.5110   -0.3890 C   0  0  0  0  0
   -3.1860    2.8660    0.7120 C   0  0  0  0  0
   -3.0480    1.4970    0.8290 C   0  0  0  0  0
   -2.5840    0.7420   -0.2600 C   0  0  0  0  0
   -2.3270   -0.6730   -0.1820 C   0  0  0  0  0
   -1.3300   -1.1030    0.4630 N   0  0  0  0  0
   -0.8990   -2.3660    0.9280 C   0  0  0  0  0
   -1.6390   -3.5160    1.2100 C   0  0  0  0  0
   -2.0590    2.7930   -1.4030 C   0  0  0  0  0
   -1.9590    1.3820   -1.3380 C   0  0  0  0  0
   -1.3830    0.6640   -2.1980 O   0  5  0  0  0
   -0.0350   -0.0240   -1.1890 FE  0  0  0  0  0
    1.0530   -1.2130    0.4870 N   0  0  0  0  0
    0.4970   -2.4550    0.8610 C   0  0  0  0  0
    1.1290   -3.6400    1.2400 C   0  0  0  0  0
    0.3820   -4.7450    1.5900 C   0  0  0  0  0
   -1.0010   -4.6790    1.5860 C   0  0  0  0  0
    1.3920    0.5810   -2.1540 O   0  5  0  0  0
    2.1250    1.2170   -1.3410 C   0  0  0  0  0
    2.4200    0.5750   -0.1370 C   0  0  0  0  0
    2.1010   -0.8280   -0.0970 C   0  0  0  0  0
    3.2060    1.2040    0.8430 C   0  0  0  0  0
    3.5500    2.5340    0.7050 C   0  0  0  0  0
    3.1700    3.2220   -0.4280 C   0  0  0  0  0
    2.4450    2.5940   -1.4280 C   0  0  0  0  0
   -2.7290    4.4500   -0.4550 H   0  0  0  0  0
   -3.6030    3.3590    1.3990 H   0  0  0  0  0
   -3.4520    1.0510    1.5540 H   0  0  0  0  0
   -2.9070   -1.2760   -0.6140 H   0  0  0  0  0
   -2.5800   -3.4660    1.2290 H   0  0  0  0  0
   -1.7070    3.2430   -2.1500 H   0  0  0  0  0
    2.0700   -3.6840    1.2410 H   0  0  0  0  0
    0.8160   -5.5460    1.8330 H   0  0  0  0  0
   -1.5100   -5.4360    1.8260 H   0  0  0  0  0
    2.6750   -1.4510   -0.5070 H   0  0  0  0  0
    3.4580    0.7270    1.6160 H   0  0  0  0  0
    4.0430    2.9680    1.3810 H   0  0  0  0  0
    3.4060    4.1310   -0.5260 H   0  0  0  0  0
    2.1930    3.0750   -2.1970 H   0  0  0  0  0
  1  2  1  0  0  0
  1  9  2  0  0  0
  1 26  1  0  0  0
  2  3  2  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 10  2  0  0  0
  5  6  2  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  7  8  2  0  0  0
  7 14  1  0  0  0
  8 17  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 18  1  0  0  0
 13 14  1  0  0  0
 13 21  2  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 16 17  2  0  0  0
 16 33  1  0  0  0
 17 34  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 25  2  0  0  0
 20 21  1  0  0  0
 20 22  2  0  0  0
 21 35  1  0  0  0
 22 23  1  0  0  0
 22 36  1  0  0  0
 23 24  2  0  0  0
 23 37  1  0  0  0
 24 25  1  0  0  0
 24 38  1  0  0  0
 25 39  1  0  0  0
M  CHG  1  11  -1
M  CHG  1  18  -1
M  END
$$$$
