H57
  CCTOOLS-0807261402

 49 59  0  0  1  0  0  0  0  0999 V2000
   29.1750    3.6540   54.1130 O   0  0  0  0  0
   29.2610    3.7050   55.5350 C   0  0  0  0  0
   28.1980    4.5790   56.2250 C   0  0  0  0  0
   26.7510    4.4510   55.7730 C   0  0  0  0  0
   28.7140    5.9420   55.9690 N   0  0  0  0  0
   30.1980    5.8960   56.0230 C   0  0  0  0  0
   30.5550    4.3930   55.9900 C   0  0  0  0  0
   31.6400    4.1210   55.1080 O   0  0  0  0  0
   30.7810    6.6850   57.2040 C   0  0  0  0  0
   31.2500    8.1130   56.9130 C   0  0  0  0  0
   31.6180    8.8330   58.1880 N   0  0  0  0  0
   32.9850    9.3830   58.3110 C   0  0  0  0  0
   33.3190    9.8020   59.7090 C   0  0  0  0  0
   33.3790    8.9640   60.8210 C   0  0  0  0  0
   33.7270    9.7440   61.9550 C   0  0  0  0  0
   33.8800   11.0720   61.5210 C   0  5  0  0  0
   33.6230   11.0960   60.1230 C   0  0  0  0  0
   36.5710    8.3890   60.2280 C   0  0  0  0  0
   36.9140    9.1550   61.3620 C   0  0  0  0  0
   37.0780   10.4950   60.9490 C   0  0  0  0  0
   36.8350   10.5560   59.5600 C   0  5  0  0  0
   36.5220    9.2540   59.1150 C   0  0  0  0  0
   35.1860    9.8550   60.5340 FE  0  0  0  0  0
   28.6130    3.0730   53.8840 H   0  0  0  0  0
   29.2310    2.7860   55.9010 H   0  0  0  0  0
   28.2170    4.4100   57.2050 H   0  0  0  0  0
   26.1900    5.0440   56.3030 H   0  0  0  0  0
   26.4520    3.5330   55.8910 H   0  0  0  0  0
   26.6800    4.6950   54.8330 H   0  0  0  0  0
   28.3270    6.5590   56.4970 H   0  0  0  0  0
   30.5100    6.3060   55.1750 H   0  0  0  0  0
   30.7970    4.0680   56.8970 H   0  0  0  0  0
   32.3590    4.3850   55.4550 H   0  0  0  0  0
   31.5390    6.1930   57.5700 H   0  0  0  0  0
   30.5340    8.6050   56.4610 H   0  0  0  0  0
   31.4580    8.3190   58.8990 H   0  0  0  0  0
   33.0690   10.1510   57.7180 H   0  0  0  0  0
   33.6290    8.7150   58.0170 H   0  0  0  0  0
   33.2140    8.0360   60.8120 H   0  0  0  0  0
   33.8360    9.4300   62.8350 H   0  0  0  0  0
   34.1090   11.8100   62.0580 H   0  0  0  0  0
   33.6520   11.8540   59.5630 H   0  0  0  0  0
   36.4040    7.4630   60.2160 H   0  0  0  0  0
   37.0170    8.8300   62.2390 H   0  0  0  0  0
   37.3080   11.2200   61.5030 H   0  0  0  0  0
   36.8750   11.3300   59.0260 H   0  0  0  0  0
   36.3170    9.0070   58.2300 H   0  0  0  0  0
   30.1020    6.7220   57.9010 H   0  0  0  0  0
   32.0230    8.0790   56.3100 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  5  1  0  0  0
  3 26  1  0  0  0
  4  3  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5 30  1  0  0  0
  6  5  1  0  0  0
  6  9  1  0  0  0
  6 31  1  0  0  0
  7  6  1  0  0  0
  7 32  1  0  0  0
  8  7  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 48  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 10 49  1  0  0  0
 11 36  1  0  0  0
 12 11  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 39  1  0  0  0
 15 40  1  0  0  0
 16 15  1  0  0  0
 16 41  1  0  0  0
 17 13  2  0  0  0
 17 16  1  0  0  0
 17 42  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 18 23  1  0  0  0
 19 44  1  0  0  0
 19 23  1  0  0  0
 20 19  2  0  0  0
 20 45  1  0  0  0
 20 23  1  0  0  0
 21 23  1  0  0  0
 21 20  1  0  0  0
 21 46  1  0  0  0
 22 21  1  0  0  0
 22 18  2  0  0  0
 22 47  1  0  0  0
 22 23  1  0  0  0
 23 16  1  0  0  0
 23 17  1  0  0  0
 23 13  1  0  0  0
 23 14  1  0  0  0
 23 15  1  0  0  0
M  CHG  1  16  -1
M  CHG  1  21  -1
M  END
$$$$
