A1JN4
  CCTOOLS-0424261114

 80 88  0  0  1  0  0  0  0  0999 V2000
    1.9030   -1.5330   -0.8300 N   0  0  0  0  0
   -0.0010    1.2910   -0.4130 N   0  0  0  0  0
   -1.8240   -0.8120    0.6740 C   0  0  0  0  0
    1.4310   -2.7900   -1.1840 C   0  0  0  0  0
    3.4840   -0.0640    1.2230 C   0  0  0  0  0
    0.4910    2.5630   -0.1120 C   0  0  0  0  0
   -2.5010   -1.8700    1.2110 C   0  0  0  0  0
    2.4840   -3.3580   -1.9130 C   0  0  0  0  0
    3.9540    0.6020    2.3290 C   0  0  0  0  0
   -0.3800    3.5110   -0.8990 C   0  0  0  0  0
   -1.7250   -3.0330    0.9910 C   0  0  0  0  0
    3.6270   -2.6370   -1.6360 C   0  0  0  0  0
    3.1660    1.7660    2.5110 C   0  0  0  0  0
   -1.6540    2.6800   -1.1820 C   0  0  0  0  0
   -0.6100   -2.6790    0.2770 C   0  0  0  0  0
    3.2860   -1.6190   -0.7370 C   0  0  0  0  0
    2.1840    1.7590    1.5670 C   0  0  0  0  0
   -1.3910    1.3560   -0.5350 C   0  0  0  0  0
   -3.8330   -1.8090    1.9130 C   0  0  0  0  0
    4.9990   -2.9000   -2.2000 C   0  0  0  0  0
    3.3760    2.8250    3.5630 C   0  0  0  0  0
   -2.8800    3.3740   -0.5720 C   0  0  0  0  0
   -4.9570   -1.9980    0.8920 C   0  0  0  0  0
    5.2240   -2.0140   -3.4270 C   0  0  0  0  0
    4.3090    3.9080    3.0160 C   0  0  0  0  0
   -3.7900    3.6000   -1.8020 C   0  0  0  0  0
   -6.2890   -1.9380    1.5940 C   0  0  0  0  0
   -3.2070    2.6710   -2.8530 C   0  0  0  0  0
   -2.2240    0.4740    0.0650 C   0  0  0  0  0
    0.2830   -3.3250   -0.6130 C   0  0  0  0  0
    3.9950   -0.9780    0.2740 C   0  0  0  0  0
    1.4500    2.7950    0.8090 C   0  0  0  0  0
   -2.0670   -4.4240    1.4610 C   0  0  0  0  0
    2.3850   -4.5450   -2.8350 C   0  0  0  0  0
    5.1070    0.1700    3.1990 C   0  0  0  0  0
    0.3060    3.9150   -2.2060 C   0  0  0  0  0
   -0.5650   -1.3120    0.4920 N   0  0  0  0  0
    2.2130    0.4690    1.1150 N   0  0  0  0  0
   -6.3350   -1.7620    2.7880 O   0  0  0  0  0
   -1.8870    2.5650   -2.6050 O   0  0  0  0  0
   -7.4240   -2.0790    0.8920 O   0  0  0  0  0
   -3.8150    2.1280   -3.7440 O   0  0  0  0  0
   -0.6960    4.6680   -0.1210 O   0  0  0  0  0
    0.8940   -0.2560    0.0180 FE  0  0  0  0  0
   -3.8860   -2.6000    2.6620 H   0  0  0  0  0
   -3.9440   -0.8400    2.4000 H   0  0  0  0  0
    5.7520   -2.6730   -1.4450 H   0  0  0  0  0
    5.0790   -3.9480   -2.4890 H   0  0  0  0  0
    2.4180    3.2710    3.8270 H   0  0  0  0  0
    3.8230    2.3740    4.4480 H   0  0  0  0  0
   -3.3680    2.7260    0.1560 H   0  0  0  0  0
   -2.5990    4.3230   -0.1160 H   0  0  0  0  0
   -4.9040   -1.2070    0.1440 H   0  0  0  0  0
   -4.8460   -2.9670    0.4050 H   0  0  0  0  0
    6.2170   -2.2040   -3.8350 H   0  0  0  0  0
    4.4710   -2.2410   -4.1820 H   0  0  0  0  0
    5.1440   -0.9660   -3.1380 H   0  0  0  0  0
    4.4620    4.6740    3.7770 H   0  0  0  0  0
    5.2680    3.4620    2.7520 H   0  0  0  0  0
    3.8620    4.3600    2.1310 H   0  0  0  0  0
   -4.8200    3.3230   -1.5740 H   0  0  0  0  0
   -3.7360    4.6370   -2.1340 H   0  0  0  0  0
   -3.2710    0.7330    0.1020 H   0  0  0  0  0
    0.0460   -4.3450   -0.8760 H   0  0  0  0  0
    5.0500   -1.2020    0.3400 H   0  0  0  0  0
    1.7040    3.8250    1.0080 H   0  0  0  0  0
   -2.6560   -4.9310    0.6960 H   0  0  0  0  0
   -1.1490   -4.9820    1.6410 H   0  0  0  0  0
   -2.6440   -4.3640    2.3840 H   0  0  0  0  0
    2.1550   -4.2030   -3.8450 H   0  0  0  0  0
    3.3340   -5.0810   -2.8400 H   0  0  0  0  0
    1.5940   -5.2100   -2.4880 H   0  0  0  0  0
    6.0330    0.5970    2.8130 H   0  0  0  0  0
    4.9440    0.5180    4.2190 H   0  0  0  0  0
    5.1780   -0.9180    3.1930 H   0  0  0  0  0
    1.2210    4.4630   -1.9810 H   0  0  0  0  0
    0.5500    3.0200   -2.7790 H   0  0  0  0  0
   -0.3630    4.5480   -2.7870 H   0  0  0  0  0
   -8.2550   -2.0330    1.3860 H   0  0  0  0  0
    0.0760    5.1870    0.1440 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  END
$$$$
