FDD
  CCTOOLS-0807261402

 73 80  0  0  1  0  0  0  0  0999 V2000
    7.0010    1.9790   -0.2430 O   0  0  0  0  0
    6.2770    2.9810   -0.0640 C   0  0  0  0  0
    6.6940    4.1580   -0.0800 O   0  5  0  0  0
    4.7890    2.7520    0.1890 C   0  0  0  0  0
    3.9500    2.5800   -1.0740 C   0  0  0  0  0
    2.4760    2.3870   -0.8160 C   0  0  0  0  0
    1.5310    3.3660   -0.7560 C   0  0  0  0  0
    1.8050    4.8370   -0.9510 C   0  0  0  0  0
    1.8290    1.1870   -0.5860 C   0  0  0  0  0
    2.4080   -0.0810   -0.5460 C   0  0  0  0  0
    0.4990    1.4130   -0.3880 N   0  0  0  0  0
    0.3220    2.7620   -0.4980 C   0  0  0  0  0
   -0.9240    3.3740   -0.3490 C   0  0  0  0  0
   -2.1850    2.8140   -0.1300 C   0  0  0  0  0
   -3.3880    3.4720   -0.0330 C   0  0  0  0  0
   -3.6580    4.9520   -0.1330 C   0  0  0  0  0
   -4.3560    2.5240    0.1920 C   0  0  0  0  0
   -5.8220    2.8330    0.3600 C   0  0  0  0  0
   -0.9470   -0.0100    0.0070 FE  0  0  0  0  0
    0.4810   -1.4980   -0.1210 N   0  5  0  0  0
    1.8130   -1.3280   -0.3520 C   0  0  0  0  0
   -2.3880    1.4710    0.0280 N   0  5  0  0  0
   -3.7300    1.3000    0.2230 C   0  0  0  0  0
   -4.3170    0.0490    0.4250 C   0  0  0  0  0
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   -2.2200   -2.7970    0.3810 C   0  0  0  0  0
   -0.9660   -3.4020    0.2710 C   0  0  0  0  0
    0.2890   -2.8420    0.0200 C   0  0  0  0  0
    1.4870   -3.4990   -0.1410 C   0  0  0  0  0
    1.7420   -4.9840   -0.0660 C   0  0  0  0  0
    2.4440   -2.5580   -0.3720 C   0  0  0  0  0
    3.9140   -2.8140   -0.5950 C   0  0  0  0  0
    4.7570   -2.7690    0.6760 C   0  0  0  0  0
    6.2590   -2.9090    0.4460 C   0  0  0  0  0
    6.7640   -4.0460    0.5490 O   0  5  0  0  0
    6.9070   -1.8780    0.1650 O   0  0  0  0  0
   -6.7440   -3.2250   -0.2510 H   0  0  0  0  0
    4.4380    3.5170    0.7010 H   0  0  0  0  0
    4.6870    1.9490    0.7500 H   0  0  0  0  0
    4.2960    1.8100   -1.5750 H   0  0  0  0  0
    4.0880    3.3610   -1.6520 H   0  0  0  0  0
    0.9750    5.3260   -1.0520 H   0  0  0  0  0
    2.3400    4.9690   -1.7500 H   0  0  0  0  0
    2.2880    5.1810   -0.1820 H   0  0  0  0  0
    3.3490   -0.0960   -0.6430 H   0  0  0  0  0
   -0.9100    4.3180   -0.3800 H   0  0  0  0  0
   -4.3330    5.1180   -0.8120 H   0  0  0  0  0
   -2.8510    5.4300   -0.3750 H   0  0  0  0  0
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   -5.2490    0.0690    0.5780 H   0  0  0  0  0
   -6.1840   -3.3170    0.1950 H   0  0  0  0  0
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    4.2670   -2.1500   -1.2270 H   0  0  0  0  0
    4.0400   -3.6870   -1.0260 H   0  0  0  0  0
    4.4640   -3.4930    1.2760 H   0  0  0  0  0
    4.5890   -1.9160    1.1380 H   0  0  0  0  0
   -6.7000    4.0040   -0.6290 H   0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  3 42  1  0  0  0
  4  5  1  0  0  0
  4 43  1  0  0  0
  4 44  1  0  0  0
  5  6  1  0  0  0
  5 45  1  0  0  0
  5 46  1  0  0  0
  6  7  2  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  7 12  1  0  0  0
  8 47  1  0  0  0
  8 48  1  0  0  0
  8 49  1  0  0  0
  9 10  1  0  0  0
  9 11  2  0  0  0
 10 21  2  0  0  0
 10 50  1  0  0  0
 11 12  1  0  0  0
 11 19  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 51  1  0  0  0
 14 15  2  0  0  0
 14 22  1  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 16 52  1  0  0  0
 16 53  1  0  0  0
 16 54  1  0  0  0
 17 18  1  0  0  0
 17 23  2  0  0  0
 18 55  1  0  0  0
 18 56  1  0  0  0
 18 57  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 19 30  1  0  0  0
 20 21  1  0  0  0
 20 33  1  0  0  0
 21 36  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 58  1  0  0  0
 25 26  1  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 28  2  0  0  0
 27 59  1  0  0  0
 27 60  1  0  0  0
 27 61  1  0  0  0
 28 29  1  0  0  0
 28 31  1  0  0  0
 29 62  1  0  0  0
 29 63  1  0  0  0
 29 64  1  0  0  0
 30 31  2  0  0  0
 31 32  1  0  0  0
 32 33  2  0  0  0
 32 65  1  0  0  0
 33 34  1  0  0  0
 34 35  1  0  0  0
 34 36  2  0  0  0
 35 66  1  0  0  0
 35 67  1  0  0  0
 35 68  1  0  0  0
 36 37  1  0  0  0
 37 38  1  0  0  0
 37 69  1  0  0  0
 37 70  1  0  0  0
 38 39  1  0  0  0
 38 71  1  0  0  0
 38 72  1  0  0  0
 39 40  1  0  0  0
 39 41  2  0  0  0
 40 73  1  0  0  0
M  CHG  1   3  -1
M  CHG  1  20  -1
M  CHG  1  22  -1
M  CHG  1  40  -1
M  END
$$$$
