QG4
  CCTOOLS-0807261403

 70 75  0  0  1  0  0  0  0  0999 V2000
    9.9440   -0.4080    0.7120 O   0  0  0  0  0
    8.7570   -0.3150    1.0590 C   0  0  0  0  0
    8.3120    0.1280    2.2480 N   0  0  0  0  0
    7.6870   -0.6520    0.3150 N   0  0  0  0  0
    6.4220   -0.4550    0.9920 C   0  0  0  0  0
    6.8690    0.1650    2.3440 C   0  0  0  0  0
    6.3150    1.5840    2.4610 C   0  0  0  0  0
    6.0730    2.1640    0.7880 S   0  0  0  0  0
    5.4130    0.5370    0.3080 C   0  0  0  0  0
    5.1830    0.4080   -1.2040 C   0  0  0  0  0
    4.0480    1.2230   -1.8410 C   0  0  0  0  0
    2.6490    0.5850   -1.8030 C   0  0  0  0  0
    1.5510    1.3610   -2.5280 C   0  0  0  0  0
    0.1560    0.9560   -2.1070 C   0  0  0  0  0
   -1.7420    1.4320   -0.5360 C   0  0  0  0  0
   -0.4740    0.1090   -2.7560 O   0  0  0  0  0
   -0.3680    1.5740   -1.0320 N   0  0  0  0  0
   -1.8580    0.3550    0.5410 C   0  0  0  0  0
   -3.1910   -0.2720    0.7270 N   0  0  0  0  0
   -4.2110    0.6490    1.2970 C   0  0  0  0  0
   -3.1200   -1.5540    1.4750 C   0  0  0  0  0
   -3.8340   -0.8150   -1.1680 FE  0  0  0  0  0
   -5.1570    0.5790   -0.9260 N   0  0  0  0  0
   -5.9820    1.0410   -1.8770 C   0  0  0  0  0
   -6.8130    2.1200   -1.6990 C   0  0  0  0  0
   -6.8030    2.7600   -0.4830 C   0  0  0  0  0
   -5.9640    2.3010    0.5140 C   0  0  0  0  0
   -5.1530    1.2060    0.2580 C   0  0  0  0  0
   -4.6920   -2.3060   -0.1890 N   0  0  0  0  0
   -4.1900   -2.5220    1.0350 C   0  0  0  0  0
   -5.6420   -3.1400   -0.6340 C   0  0  0  0  0
   -6.1190   -4.2010    0.0970 C   0  0  0  0  0
   -5.5970   -4.4200    1.3500 C   0  0  0  0  0
   -4.6160   -3.5730    1.8300 C   0  0  0  0  0
   -2.3900   -2.0340   -1.6100 N   0  5  0  0  0
   -1.5390   -2.7340   -1.8640 N   0  3  0  0  0
   -0.6000   -3.5030   -2.1450 N   0  0  0  0  0
    8.8500    0.3640    2.8810 H   0  0  0  0  0
    7.7740   -0.9680   -0.4840 H   0  0  0  0  0
    5.9880   -1.3280    1.1450 H   0  0  0  0  0
    6.5640   -0.3910    3.1000 H   0  0  0  0  0
    5.4570    1.5810    2.9560 H   0  0  0  0  0
    6.9550    2.1670    2.9420 H   0  0  0  0  0
    4.5260    0.4240    0.7580 H   0  0  0  0  0
    6.0170    0.6610   -1.6530 H   0  0  0  0  0
    5.0300   -0.5400   -1.4080 H   0  0  0  0  0
    3.9970    2.1010   -1.4020 H   0  0  0  0  0
    4.2810    1.3930   -2.7800 H   0  0  0  0  0
    2.7080   -0.3130   -2.1970 H   0  0  0  0  0
    2.3880    0.4740   -0.8620 H   0  0  0  0  0
    1.6670    2.3210   -2.3600 H   0  0  0  0  0
    1.6450    1.2130   -3.4940 H   0  0  0  0  0
   -2.0330    2.2900   -0.1650 H   0  0  0  0  0
   -2.3350    1.2150   -1.2820 H   0  0  0  0  0
    0.1510    2.1090   -0.5700 H   0  0  0  0  0
   -1.5690    0.7440    1.3960 H   0  0  0  0  0
   -1.2100   -0.3470    0.3140 H   0  0  0  0  0
   -3.7710    1.4040    1.7710 H   0  0  0  0  0
   -4.7550    0.1830    1.9850 H   0  0  0  0  0
   -2.2380   -1.9870    1.3390 H   0  0  0  0  0
   -3.2010   -1.3920    2.4540 H   0  0  0  0  0
   -5.9870    0.6010   -2.7110 H   0  0  0  0  0
   -7.3770    2.4140   -2.3950 H   0  0  0  0  0
   -7.3640    3.5040   -0.3300 H   0  0  0  0  0
   -5.9410    2.7190    1.3450 H   0  0  0  0  0
   -5.9990   -2.9880   -1.4940 H   0  0  0  0  0
   -6.7890   -4.7640   -0.2530 H   0  0  0  0  0
   -5.9060   -5.1410    1.8760 H   0  0  0  0  0
   -4.2490   -3.7030    2.6760 H   0  0  0  0  0
   -0.9730   -4.3160   -2.4150 H   0  0  0  0  0
  2  1  2  0  0  0
  2  3  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4  2  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  6  3  1  0  0  0
  6 41  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8  7  1  0  0  0
  9  5  1  0  0  0
  9  8  1  0  0  0
  9 44  1  0  0  0
 10  9  1  0  0  0
 10 45  1  0  0  0
 10 46  1  0  0  0
 11 10  1  0  0  0
 11 47  1  0  0  0
 11 48  1  0  0  0
 12 11  1  0  0  0
 12 49  1  0  0  0
 12 50  1  0  0  0
 13 12  1  0  0  0
 13 51  1  0  0  0
 13 52  1  0  0  0
 14 17  1  0  0  0
 14 13  1  0  0  0
 15 18  1  0  0  0
 15 17  1  0  0  0
 15 53  1  0  0  0
 15 54  1  0  0  0
 16 14  2  0  0  0
 17 55  1  0  0  0
 18 56  1  0  0  0
 18 57  1  0  0  0
 19 18  1  0  0  0
 19 20  1  0  0  0
 20 28  1  0  0  0
 20 58  1  0  0  0
 20 59  1  0  0  0
 21 19  1  0  0  0
 21 60  1  0  0  0
 21 61  1  0  0  0
 22 29  1  0  0  0
 22 19  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 62  1  0  0  0
 25 26  2  0  0  0
 25 63  1  0  0  0
 26 64  1  0  0  0
 27 26  1  0  0  0
 27 65  1  0  0  0
 28 27  2  0  0  0
 29 30  2  0  0  0
 30 34  1  0  0  0
 30 21  1  0  0  0
 31 32  2  0  0  0
 31 29  1  0  0  0
 31 66  1  0  0  0
 32 33  1  0  0  0
 32 67  1  0  0  0
 33 34  2  0  0  0
 33 68  1  0  0  0
 34 69  1  0  0  0
 35 36  2  0  0  0
 35 22  1  0  0  0
 37 36  2  0  0  0
 37 70  1  0  0  0
M  CHG  1  35  -1
M  CHG  1  36   1
M  END
$$$$
