PMR
  CCTOOLS-0919241033

 77 85  0  0  1  0  0  0  0  0999 V2000
    1.1890   -0.1960   -0.0440 MG  0  0  0  0  0
    6.5980   -1.6250   -1.3720 C   0  0  0  0  0
    5.6970   -2.5560   -1.6660 C   0  0  0  0  0
    4.3150   -2.4280   -1.1710 C   0  0  0  0  0
    3.2540   -3.3300   -1.3990 C   0  0  0  0  0
    3.3530   -4.6270   -2.1610 C   0  0  0  0  0
    2.1050   -2.8270   -0.8060 C   0  0  0  0  0
    0.8990   -3.3680   -0.3340 C   0  0  0  0  0
    2.4550   -1.4950   -0.6130 N   0  0  0  0  0
    3.8040   -1.3830   -0.3820 C   0  0  0  0  0
    4.2950   -0.5620    0.6360 C   0  0  0  0  0
    3.5880    0.4370    1.3510 C   0  0  0  0  0
    2.3410    0.8160    1.0470 N   0  3  0  0  0
    4.0000    1.4060    2.3610 C   0  0  0  0  0
    5.0480    1.2240    3.4290 C   0  0  0  0  0
    3.2250    2.5230    2.1290 C   0  0  0  0  0
    3.2970    3.8420    2.8530 C   0  0  0  0  0
    4.1940    4.8050    2.0730 C   0  0  0  0  0
    2.3200    2.1680    1.0370 C   0  0  0  0  0
    1.7220    2.9770    0.0370 C   0  0  0  0  0
    0.8170    2.6170   -0.9610 C   0  0  0  0  0
   -0.0840    3.1480   -1.8780 C   0  0  0  0  0
    0.0460    4.4960   -2.5390 C   0  0  0  0  0
    0.5140    1.2760   -1.0550 N   0  0  0  0  0
   -0.7420    1.0830   -1.4210 C   0  0  0  0  0
   -1.1370    2.2370   -2.0960 C   0  0  0  0  0
   -2.4680    1.8580   -2.5750 C   0  0  0  0  0
   -3.1300    2.4470   -3.4030 O   0  0  0  0  0
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   -4.0260    0.8630   -0.9130 C   0  0  0  0  0
   -3.9010    0.7040    0.2790 O   0  0  0  0  0
   -5.1950    1.2900   -1.4130 O   0  0  0  0  0
   -6.2660    1.5410   -0.4650 C   0  0  0  0  0
   -1.6500    0.1380   -1.0250 C   0  0  0  0  0
   -1.4770   -0.9620   -0.1430 C   0  0  0  0  0
   -0.2590   -1.3690    0.2640 N   0  3  0  0  0
   -0.2100   -2.7130    0.2310 C   0  0  0  0  0
   -1.5360   -3.0870    0.6960 C   0  0  0  0  0
   -1.9450   -4.3950    1.3230 C   0  0  0  0  0
   -2.3410   -1.9950    0.4440 C   0  0  0  0  0
   -3.8190   -1.8830    0.7190 C   0  0  0  0  0
   -4.0360   -1.2180    2.0800 C   0  0  0  0  0
   -5.5130   -1.1060    2.3540 C   0  0  0  0  0
   -6.3110   -1.5160    1.5450 O   0  0  0  0  0
   -5.9430   -0.5500    3.4980 O   0  0  0  0  0
    6.3180   -0.7740   -0.7700 H   0  0  0  0  0
    7.6110   -1.7190   -1.7340 H   0  0  0  0  0
    5.9780   -3.4080   -2.2680 H   0  0  0  0  0
    4.3760   -4.7640   -2.5130 H   0  0  0  0  0
    3.0800   -5.4540   -1.5070 H   0  0  0  0  0
    2.6760   -4.5990   -3.0150 H   0  0  0  0  0
    0.8100   -4.4420   -0.4160 H   0  0  0  0  0
    5.3300   -0.7050    0.9100 H   0  0  0  0  0
    6.0160    1.5440    3.0460 H   0  0  0  0  0
    4.7850    1.8250    4.3010 H   0  0  0  0  0
    5.0980    0.1740    3.7140 H   0  0  0  0  0
    2.2960    4.2660    2.9370 H   0  0  0  0  0
    3.7110    3.6870    3.8500 H   0  0  0  0  0
    3.7800    4.9600    1.0760 H   0  0  0  0  0
    4.2460    5.7590    2.5970 H   0  0  0  0  0
    5.1950    4.3810    1.9890 H   0  0  0  0  0
    2.0090    4.0190    0.0500 H   0  0  0  0  0
    0.6080    4.3920   -3.4670 H   0  0  0  0  0
   -0.9460    4.8910   -2.7570 H   0  0  0  0  0
    0.5710    5.1790   -1.8710 H   0  0  0  0  0
   -3.1430   -0.1920   -2.5520 H   0  0  0  0  0
   -6.4970    0.6220    0.0740 H   0  0  0  0  0
   -5.9530    2.3090    0.2420 H   0  0  0  0  0
   -7.1530    1.8800   -1.0010 H   0  0  0  0  0
   -1.0800   -5.0550    1.3850 H   0  0  0  0  0
   -2.3350   -4.2120    2.3240 H   0  0  0  0  0
   -2.7170   -4.8640    0.7120 H   0  0  0  0  0
   -4.2880   -1.2810   -0.0590 H   0  0  0  0  0
   -4.2630   -2.8780    0.7260 H   0  0  0  0  0
   -3.5660   -1.8200    2.8580 H   0  0  0  0  0
   -3.5910   -0.2220    2.0720 H   0  0  0  0  0
   -6.9000   -0.5010    3.6290 H   0  0  0  0  0
  1  9  1  0  0  0
  1 13  1  0  0  0
  1 24  1  0  0  0
  1 36  1  0  0  0
  2  3  2  0  0  0
  2 46  1  0  0  0
  2 47  1  0  0  0
  3  4  1  0  0  0
  3 48  1  0  0  0
  4  5  2  0  0  0
  4 10  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  6 49  1  0  0  0
  6 50  1  0  0  0
  6 51  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 37  1  0  0  0
  8 52  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 53  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 13 19  1  0  0  0
 14 15  1  0  0  0
 14 16  2  0  0  0
 15 54  1  0  0  0
 15 55  1  0  0  0
 15 56  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  1  0  0  0
 17 57  1  0  0  0
 17 58  1  0  0  0
 18 59  1  0  0  0
 18 60  1  0  0  0
 18 61  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 62  1  0  0  0
 21 22  2  0  0  0
 21 24  1  0  0  0
 22 23  1  0  0  0
 22 26  1  0  0  0
 23 63  1  0  0  0
 23 64  1  0  0  0
 23 65  1  0  0  0
 24 25  1  0  0  0
 25 26  2  0  0  0
 25 34  1  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 27 29  1  0  0  0
 29 30  1  0  0  0
 29 34  1  0  0  0
 29 66  1  0  0  0
 30 31  2  0  0  0
 30 32  1  0  0  0
 32 33  1  0  0  0
 33 67  1  0  0  0
 33 68  1  0  0  0
 33 69  1  0  0  0
 34 35  2  0  0  0
 35 36  1  0  0  0
 35 40  1  0  0  0
 36 37  2  0  0  0
 37 38  1  0  0  0
 38 39  1  0  0  0
 38 40  2  0  0  0
 39 70  1  0  0  0
 39 71  1  0  0  0
 39 72  1  0  0  0
 40 41  1  0  0  0
 41 42  1  0  0  0
 41 73  1  0  0  0
 41 74  1  0  0  0
 42 43  1  0  0  0
 42 75  1  0  0  0
 42 76  1  0  0  0
 43 44  2  0  0  0
 43 45  1  0  0  0
 45 77  1  0  0  0
M  CHG  1  13   1
M  CHG  1  36   1
M  END
$$$$
