A1JN4
  CCTOOLS-0807261402

 80 88  0  0  1  0  0  0  0  0999 V2000
    2.5700    0.1070    0.3100 N   0  5  0  0  0
   -1.5680   -0.4620   -0.1310 N   0  5  0  0  0
   -1.0050    2.5090    0.5070 C   0  0  0  0  0
    3.1950    1.2620    0.6630 C   0  0  0  0  0
    2.0330   -2.8420   -0.4210 C   0  0  0  0  0
   -2.1980   -1.6620   -0.2750 C   0  0  0  0  0
   -0.8120    3.8230    0.8790 C   0  0  0  0  0
    4.5540    1.0490    0.6850 C   0  0  0  0  0
    1.8350   -4.1720   -0.7150 C   0  0  0  0  0
   -3.7270   -1.5100   -0.1710 C   0  0  0  0  0
    0.5270    3.9920    1.1010 C   0  0  0  0  0
    4.7690   -0.2580    0.3410 C   0  0  0  0  0
    0.4830   -4.3810   -0.7610 C   0  0  0  0  0
   -3.8780    0.0100   -0.5880 C   0  0  0  0  0
    1.1380    2.7820    0.8530 C   0  0  0  0  0
    3.5310   -0.8320    0.1110 C   0  0  0  0  0
   -0.1290   -3.1690   -0.5110 C   0  0  0  0  0
   -2.5100    0.5240   -0.1490 C   0  0  0  0  0
   -1.8920    4.8660    1.0190 C   0  0  0  0  0
    6.1060   -0.9500    0.2380 C   0  0  0  0  0
   -0.2190   -5.6820   -1.0600 C   0  0  0  0  0
   -4.2210    0.3690   -2.0250 C   0  0  0  0  0
   -2.1860    5.6330   -0.2670 C   0  0  0  0  0
    6.5090   -1.6430    1.5330 C   0  0  0  0  0
   -0.5470   -5.8440   -2.5380 C   0  0  0  0  0
   -5.7220    0.5990   -2.0040 C   0  0  0  0  0
   -3.2110    6.7530   -0.1170 C   0  0  0  0  0
   -6.0000    0.9950   -0.5880 C   0  0  0  0  0
   -2.2420    1.8580    0.1530 C   0  0  0  0  0
    2.5070    2.4620    0.9340 C   0  0  0  0  0
    3.2550   -2.1650   -0.2510 C   0  0  0  0  0
   -1.5430   -2.8790   -0.4490 C   0  0  0  0  0
    1.1900    5.2770    1.5280 C   0  0  0  0  0
    5.6220    2.0610    1.0160 C   0  0  0  0  0
    2.8990   -5.2170   -0.9350 C   0  0  0  0  0
   -4.1820   -1.8640    1.2400 C   0  0  0  0  0
    0.1950    1.8770    0.4840 N   0  5  0  0  0
    0.8270   -2.2310   -0.2910 N   0  5  0  0  0
   -2.8130    7.8550    0.3170 O   0  0  0  0  0
   -4.9360    0.6750    0.1940 O   0  0  0  0  0
   -4.3940    6.5120   -0.4350 O   0  5  0  0  0
   -6.9750    1.5250   -0.1240 O   0  0  0  0  0
   -4.4440   -2.4410   -0.9920 O   0  0  0  0  0
    0.5080   -0.1670    0.0450 FE  0  0  0  0  0
   -2.7220    4.4350    1.3210 H   0  0  0  0  0
   -1.6490    5.5080    1.7210 H   0  0  0  0  0
    6.8010   -0.2960   -0.0030 H   0  0  0  0  0
    6.0730   -1.6190   -0.4830 H   0  0  0  0  0
   -1.0560   -5.7260   -0.5430 H   0  0  0  0  0
    0.3420   -6.4370   -0.7730 H   0  0  0  0  0
   -3.7520    1.1780   -2.3050 H   0  0  0  0  0
   -3.9890   -0.3580   -2.6330 H   0  0  0  0  0
   -1.3450    6.0190   -0.6040 H   0  0  0  0  0
   -2.5130    4.9980   -0.9460 H   0  0  0  0  0
    7.3760   -2.0740    1.4170 H   0  0  0  0  0
    5.8420   -2.3140    1.7660 H   0  0  0  0  0
    6.5690   -0.9850    2.2500 H   0  0  0  0  0
   -1.0000   -6.6950   -2.6810 H   0  0  0  0  0
    0.2770   -5.8250   -3.0590 H   0  0  0  0  0
   -1.1280   -5.1150   -2.8260 H   0  0  0  0  0
   -5.9780    1.3160   -2.6240 H   0  0  0  0  0
   -6.2090   -0.2190   -2.2410 H   0  0  0  0  0
   -2.9920    2.4270    0.0990 H   0  0  0  0  0
    3.0580    3.1740    1.2200 H   0  0  0  0  0
    4.0230   -2.6930   -0.4110 H   0  0  0  0  0
   -2.1030   -3.6330   -0.5320 H   0  0  0  0  0
    2.0540    5.0930    1.9260 H   0  0  0  0  0
    0.6400    5.7320    2.1860 H   0  0  0  0  0
    1.3090    5.8540    0.7550 H   0  0  0  0  0
    6.3790    1.6230    1.4380 H   0  0  0  0  0
    5.2730    2.7280    1.6270 H   0  0  0  0  0
    5.9190    2.4980    0.2010 H   0  0  0  0  0
    3.7030   -4.8040   -1.2860 H   0  0  0  0  0
    2.5890   -5.8800   -1.5720 H   0  0  0  0  0
    3.1050   -5.6530   -0.0920 H   0  0  0  0  0
   -3.9220   -2.7820    1.4430 H   0  0  0  0  0
   -5.1520   -1.7810    1.2990 H   0  0  0  0  0
   -3.7630   -1.2580    1.8780 H   0  0  0  0  0
    6.3710    5.1590    0.5350 H   0  0  0  0  0
   -4.1250   -2.5120   -1.7580 H   0  0  0  0  0
  1  4  1  0  0  0
  1 16  1  0  0  0
  2 44  1  0  0  0
  3  7  2  0  0  0
  3 37  1  0  0  0
  4  8  1  0  0  0
  5 31  1  0  0  0
  6  2  1  0  0  0
  6 32  2  0  0  0
  7 11  1  0  0  0
  8 12  2  0  0  0
  8 34  1  0  0  0
  9  5  2  0  0  0
  9 35  1  0  0  0
 10 43  1  0  0  0
 10  6  1  0  0  0
 11 15  2  0  0  0
 11 33  1  0  0  0
 12 20  1  0  0  0
 13  9  1  0  0  0
 14 10  1  0  0  0
 14 18  1  0  0  0
 15 30  1  0  0  0
 16 12  1  0  0  0
 17 13  2  0  0  0
 17 38  1  0  0  0
 18 29  2  0  0  0
 18  2  1  0  0  0
 19  7  1  0  0  0
 19 45  1  0  0  0
 19 46  1  0  0  0
 20 24  1  0  0  0
 20 47  1  0  0  0
 20 48  1  0  0  0
 21 13  1  0  0  0
 21 25  1  0  0  0
 21 49  1  0  0  0
 21 50  1  0  0  0
 22 14  1  0  0  0
 22 51  1  0  0  0
 22 52  1  0  0  0
 23 19  1  0  0  0
 23 53  1  0  0  0
 23 54  1  0  0  0
 24 55  1  0  0  0
 24 56  1  0  0  0
 24 57  1  0  0  0
 25 58  1  0  0  0
 25 59  1  0  0  0
 25 60  1  0  0  0
 26 28  1  0  0  0
 26 22  1  0  0  0
 26 61  1  0  0  0
 26 62  1  0  0  0
 27 23  1  0  0  0
 28 40  1  0  0  0
 29  3  1  0  0  0
 29 63  1  0  0  0
 30  4  2  0  0  0
 30 64  1  0  0  0
 31 16  2  0  0  0
 31 65  1  0  0  0
 32 17  1  0  0  0
 32 66  1  0  0  0
 33 67  1  0  0  0
 33 68  1  0  0  0
 33 69  1  0  0  0
 34 70  1  0  0  0
 34 71  1  0  0  0
 34 72  1  0  0  0
 35 73  1  0  0  0
 35 74  1  0  0  0
 35 75  1  0  0  0
 36 10  1  0  0  0
 36 76  1  0  0  0
 36 77  1  0  0  0
 36 78  1  0  0  0
 37 44  1  0  0  0
 37 15  1  0  0  0
 38  5  1  0  0  0
 39 27  2  0  0  0
 40 14  1  0  0  0
 41 27  1  0  0  0
 41 79  1  0  0  0
 42 28  2  0  0  0
 43 80  1  0  0  0
 44 38  1  0  0  0
 44  1  1  0  0  0
M  CHG  1   1  -1
M  CHG  1   2  -1
M  CHG  1  37  -1
M  CHG  1  38  -1
M  CHG  1  41  -1
M  END
$$$$
