PQ3
  CCTOOLS-0919241033

 68 74  0  0  0  0  0  0  0  0999 V2000
   -3.7450   -3.8110    0.1470 C   0  0  0  0  0
   -2.9530   -2.6560    0.1440 C   0  0  0  0  0
   -3.1500   -5.0420    0.1050 C   0  0  0  0  0
   -1.7470   -5.1030    0.0600 C   0  0  0  0  0
   -1.0080   -3.8960    0.0590 C   0  0  0  0  0
    0.4600   -3.9730    0.0110 C   0  0  0  0  0
    1.0680   -5.2500   -0.0320 C   0  0  0  0  0
   -1.0770   -6.3460    0.0150 C   0  0  0  0  0
   -6.4920    2.4840   -1.4710 C   0  0  0  0  0
   -3.7210    5.7020    1.1770 C   0  0  0  0  0
    2.5240   -2.9410   -0.0350 C   0  0  0  0  0
   -3.6060   -1.3270    0.1900 C   0  0  0  0  0
    0.2710   -6.4160   -0.0280 C   0  0  0  0  0
    2.4700   -5.3340   -0.0780 C   0  0  0  0  0
    3.1900   -4.1710   -0.0790 C   0  0  0  0  0
    3.3130   -1.6870   -0.0360 C   0  0  0  0  0
   -4.8970    5.7910    0.4350 C   0  0  0  0  0
    3.4230    0.6880   -0.0920 C   0  0  0  0  0
    4.6790    0.7720    0.4760 C   0  0  0  0  0
    5.3840    1.9830    0.3450 C   0  0  0  0  0
    4.7840    3.0570   -0.3580 C   0  0  0  0  0
    2.8950    1.7920   -0.7730 C   0  0  0  0  0
    6.6660    2.1440    0.8960 C   0  0  0  0  0
   -5.4170    4.7000   -0.1910 C   0  0  0  0  0
    5.4890    4.2660   -0.4890 C   0  0  0  0  0
    7.3180    3.3300    0.7480 C   0  0  0  0  0
    6.7290    4.3870    0.0580 C   0  0  0  0  0
   -3.0560    4.5200    1.2930 C   0  0  0  0  0
   -3.4730    1.0460    0.1210 C   0  0  0  0  0
   -4.6570    1.2110   -0.6080 C   0  0  0  0  0
   -2.9060    2.1330    0.7590 C   0  0  0  0  0
   -3.5640    3.3730    0.6620 C   0  0  0  0  0
   -4.7630    3.4590   -0.0900 C   0  0  0  0  0
    2.9610    4.0350   -1.6100 C   0  0  0  0  0
   -1.6330   -2.7290    0.1010 N   0  0  0  0  0
   -2.8570   -0.2070    0.1880 N   0  0  0  0  0
    3.5640    2.9120   -0.8870 N   0  3  0  0  0
    2.6840   -0.4950    0.0060 N   0  0  0  0  0
    1.2030   -2.8760    0.0090 N   0  0  0  0  0
   -5.2550    2.3730   -0.6940 N   0  3  0  0  0
    4.5270   -1.7330   -0.0760 O   0  0  0  0  0
   -4.8180   -1.2470    0.2310 O   0  0  0  0  0
   -4.8210   -3.7300    0.1880 H   0  0  0  0  0
   -3.7440   -5.9440    0.1080 H   0  0  0  0  0
   -1.6540   -7.2590    0.0160 H   0  0  0  0  0
   -7.3460    2.2930   -0.8220 H   0  0  0  0  0
   -6.5700    3.4890   -1.8870 H   0  0  0  0  0
   -6.4790    1.7550   -2.2810 H   0  0  0  0  0
   -3.3300    6.5840    1.6630 H   0  0  0  0  0
    0.7490   -7.3840   -0.0620 H   0  0  0  0  0
    2.9660   -6.2930   -0.1120 H   0  0  0  0  0
    4.2690   -4.2020   -0.1150 H   0  0  0  0  0
   -5.4030    6.7410    0.3540 H   0  0  0  0  0
    5.1070   -0.0660    1.0060 H   0  0  0  0  0
    1.9130    1.7180   -1.2150 H   0  0  0  0  0
    7.1310    1.3310    1.4340 H   0  0  0  0  0
   -6.3290    4.7860   -0.7620 H   0  0  0  0  0
    5.0480    5.0950   -1.0220 H   0  0  0  0  0
    8.3030    3.4530    1.1720 H   0  0  0  0  0
    7.2670    5.3180   -0.0460 H   0  0  0  0  0
   -2.1430    4.4640    1.8670 H   0  0  0  0  0
   -5.0880    0.3580   -1.1120 H   0  0  0  0  0
   -1.9930    2.0310    1.3270 H   0  0  0  0  0
    3.2310    3.9740   -2.6640 H   0  0  0  0  0
    1.8770    3.9910   -1.5090 H   0  0  0  0  0
    3.3270    4.9730   -1.1950 H   0  0  0  0  0
   -1.8900   -0.2710    0.2320 H   0  0  0  0  0
    1.7200   -0.4590    0.1040 H   0  0  0  0  0
  1  3  2  0  0  0
  1  2  1  0  0  0
  1 43  1  0  0  0
  2 35  2  0  0  0
  3  4  1  0  0  0
  3 44  1  0  0  0
  4  8  2  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  6 39  1  0  0  0
  7  6  1  0  0  0
  7 14  1  0  0  0
  8 13  1  0  0  0
  8 45  1  0  0  0
  9 40  1  0  0  0
  9 46  1  0  0  0
  9 47  1  0  0  0
  9 48  1  0  0  0
 10 49  1  0  0  0
 11 15  1  0  0  0
 11 16  1  0  0  0
 12  2  1  0  0  0
 12 36  1  0  0  0
 13  7  2  0  0  0
 13 50  1  0  0  0
 14 15  2  0  0  0
 14 51  1  0  0  0
 15 52  1  0  0  0
 16 41  2  0  0  0
 17 10  2  0  0  0
 17 53  1  0  0  0
 18 22  1  0  0  0
 19 18  2  0  0  0
 19 20  1  0  0  0
 19 54  1  0  0  0
 20 21  1  0  0  0
 21 37  1  0  0  0
 21 25  2  0  0  0
 22 37  2  0  0  0
 22 55  1  0  0  0
 23 20  2  0  0  0
 23 26  1  0  0  0
 23 56  1  0  0  0
 24 17  1  0  0  0
 24 57  1  0  0  0
 25 58  1  0  0  0
 26 27  2  0  0  0
 26 59  1  0  0  0
 27 25  1  0  0  0
 27 60  1  0  0  0
 28 10  1  0  0  0
 28 61  1  0  0  0
 29 31  2  0  0  0
 30 40  2  0  0  0
 30 29  1  0  0  0
 30 62  1  0  0  0
 31 32  1  0  0  0
 31 63  1  0  0  0
 32 28  2  0  0  0
 33 24  2  0  0  0
 33 32  1  0  0  0
 34 64  1  0  0  0
 34 65  1  0  0  0
 34 66  1  0  0  0
 35  5  1  0  0  0
 36 29  1  0  0  0
 36 67  1  0  0  0
 37 34  1  0  0  0
 38 16  1  0  0  0
 38 18  1  0  0  0
 38 68  1  0  0  0
 39 11  2  0  0  0
 40 33  1  0  0  0
 42 12  2  0  0  0
M  CHG  1  37   1
M  CHG  1  40   1
M  END
$$$$
