A1EQQ
  CCTOOLS-0522260957

 79 81  0  0  1  0  0  0  0  0999 V2000
    3.1060    1.2000   -0.4240 C   0  0  0  0  0
    2.6060   -0.1820   -0.3330 C   0  0  0  0  0
   -1.0560    0.3090    0.3840 C   0  0  0  0  0
   -1.8350    1.6230    0.4750 C   0  0  0  0  0
   -4.0370    2.5860    0.9280 N   0  0  0  0  0
   -6.3880    2.5340    0.4150 N   0  0  0  0  0
   -6.0760    2.3810   -1.0080 C   0  0  0  0  0
   -7.0560    2.0770   -3.2660 C   0  0  0  0  0
    1.6930   -2.7050   -0.1640 C   0  0  0  0  0
    1.1980   -4.0970   -0.0720 C   0  0  0  0  0
   -2.0820   -9.4830    0.5180 C   0  0  0  0  0
    2.0810   -5.1760   -0.2080 C   0  0  0  0  0
    3.4750   -1.2710   -0.4610 C   0  0  0  0  0
    3.4310    3.3320   -2.5470 C   0  0  0  0  0
    4.8850    3.2690   -2.0740 C   0  0  0  0  0
    4.9280    2.8070   -0.6160 C   0  0  0  0  0
    6.3470    2.8620   -0.1130 C   0  0  0  0  0
    6.7660    3.9280    0.6600 C   0  0  0  0  0
    8.0680    3.9790    1.1210 C   0  0  0  0  0
    8.9520    2.9620    0.8100 C   0  0  0  0  0
    8.5330    1.8950    0.0370 C   0  0  0  0  0
    7.2290    1.8430   -0.4200 C   0  0  0  0  0
    4.4300    1.4320   -0.5250 N   0  0  0  0  0
    1.2370   -0.4440   -0.1060 C   0  0  0  0  0
    0.3380    0.5920    0.0330 N   0  0  0  0  0
   -3.2910    1.3280    0.8410 C   0  0  0  0  0
   -5.3610    2.5810    1.3500 C   0  0  0  0  0
   -7.3760    2.2350   -1.8020 C   0  0  0  0  0
   -5.9060    2.0810   -3.6360 O   0  0  0  0  0
   -8.0480    1.9330   -4.1580 O   0  0  0  0  0
   -5.6460    2.6210    2.6500 C   0  0  0  0  0
   -4.5600    2.8000    3.6400 N   0  3  0  0  0
   -3.4210    3.0100    3.2640 O   0  0  0  0  0
   -4.8060    2.7390    4.8320 O   0  5  0  0  0
    0.8310   -1.7060   -0.0300 N   0  0  0  0  0
   -0.1530   -4.3540    0.1580 C   0  0  0  0  0
   -0.5970   -5.5910    0.2420 N   0  0  0  0  0
    0.2110   -6.6320    0.1120 C   0  0  0  0  0
   -0.2950   -7.8860    0.2050 O   0  0  0  0  0
   -1.6990   -8.0030    0.4430 C   0  0  0  0  0
    1.5720   -6.4560   -0.1140 C   0  0  0  0  0
    2.9880   -2.4950   -0.3730 N   0  0  0  0  0
    2.3250    2.1320   -0.4150 O   0  0  0  0  0
   -1.0920   -0.2020    1.3460 H   0  0  0  0  0
   -1.5020   -0.3260   -0.3820 H   0  0  0  0  0
   -1.3890    2.2580    1.2400 H   0  0  0  0  0
   -1.7990    2.1340   -0.4870 H   0  0  0  0  0
   -3.6070    3.4220    0.6920 H   0  0  0  0  0
   -7.3110    2.6030    0.7050 H   0  0  0  0  0
   -5.5340    3.2590   -1.3580 H   0  0  0  0  0
   -5.4620    1.4920   -1.1520 H   0  0  0  0  0
   -3.1530   -9.5720    0.6990 H   0  0  0  0  0
   -1.8310   -9.9710   -0.4240 H   0  0  0  0  0
   -1.5350   -9.9590    1.3310 H   0  0  0  0  0
    3.1340   -5.0110   -0.3830 H   0  0  0  0  0
    4.5300   -1.1120   -0.6310 H   0  0  0  0  0
    2.9790    2.3440   -2.4650 H   0  0  0  0  0
    2.8780    4.0370   -1.9260 H   0  0  0  0  0
    3.4010    3.6620   -3.5850 H   0  0  0  0  0
    5.4380    2.5640   -2.6950 H   0  0  0  0  0
    5.3370    4.2570   -2.1550 H   0  0  0  0  0
    4.3020    3.4610   -0.0090 H   0  0  0  0  0
    6.0760    4.7230    0.9030 H   0  0  0  0  0
    8.3950    4.8120    1.7250 H   0  0  0  0  0
    9.9690    3.0020    1.1700 H   0  0  0  0  0
    9.2230    1.1010   -0.2060 H   0  0  0  0  0
    6.9010    1.0070   -1.0210 H   0  0  0  0  0
   -3.7370    0.6930    0.0760 H   0  0  0  0  0
   -3.3270    0.8170    1.8040 H   0  0  0  0  0
   -7.9190    1.3570   -1.4520 H   0  0  0  0  0
   -7.9910    3.1230   -1.6580 H   0  0  0  0  0
   -7.7930    1.8350   -5.0860 H   0  0  0  0  0
   -6.6690    2.5220    2.9820 H   0  0  0  0  0
   -0.8420   -3.5300    0.2690 H   0  0  0  0  0
   -2.2460   -7.5270   -0.3700 H   0  0  0  0  0
   -1.9500   -7.5150    1.3850 H   0  0  0  0  0
    2.2230   -7.3120   -0.2150 H   0  0  0  0  0
    5.0530    0.6890   -0.5360 H   0  0  0  0  0
    0.6280    1.5070   -0.1010 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 43  2  0  0  0
  2 13  2  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 44  1  0  0  0
  3 45  1  0  0  0
  4 26  1  0  0  0
  4 46  1  0  0  0
  4 47  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  5 48  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 49  1  0  0  0
  7 28  1  0  0  0
  7 50  1  0  0  0
  7 51  1  0  0  0
  8 28  1  0  0  0
  8 29  2  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
  9 42  2  0  0  0
 10 12  2  0  0  0
 10 36  1  0  0  0
 11 40  1  0  0  0
 11 52  1  0  0  0
 11 53  1  0  0  0
 11 54  1  0  0  0
 12 41  1  0  0  0
 12 55  1  0  0  0
 13 42  1  0  0  0
 13 56  1  0  0  0
 14 15  1  0  0  0
 14 57  1  0  0  0
 14 58  1  0  0  0
 14 59  1  0  0  0
 15 16  1  0  0  0
 15 60  1  0  0  0
 15 61  1  0  0  0
 16 17  1  0  0  0
 16 23  1  0  0  0
 16 62  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 63  1  0  0  0
 19 20  2  0  0  0
 19 64  1  0  0  0
 20 21  1  0  0  0
 20 65  1  0  0  0
 21 22  2  0  0  0
 21 66  1  0  0  0
 22 67  1  0  0  0
 23 78  1  0  0  0
 24 25  1  0  0  0
 24 35  2  0  0  0
 25 79  1  0  0  0
 26 68  1  0  0  0
 26 69  1  0  0  0
 27 31  2  0  0  0
 28 70  1  0  0  0
 28 71  1  0  0  0
 30 72  1  0  0  0
 31 32  1  0  0  0
 31 73  1  0  0  0
 32 33  2  0  0  0
 32 34  1  0  0  0
 36 37  2  0  0  0
 36 74  1  0  0  0
 37 38  1  0  0  0
 38 39  1  0  0  0
 38 41  2  0  0  0
 39 40  1  0  0  0
 40 75  1  0  0  0
 40 76  1  0  0  0
 41 77  1  0  0  0
M  CHG  1  32   1
M  CHG  1  34  -1
M  END
$$$$
