RUX
  CCTOOLS-0828261229

 63 72  0  0  0  0  0  0  0  0999 V2000
   -2.6600    2.3260   -1.8550 N   0  0  0  0  0
   -2.3490    1.0620   -2.2480 C   0  0  0  0  0
   -3.4030    0.3090   -2.5990 N   0  0  0  0  0
   -1.0490    0.5020   -2.2740 C   0  0  0  0  0
    0.1390    1.1930   -1.8920 C   0  0  0  0  0
    1.3550    0.6180   -2.0800 C   0  0  0  0  0
    1.4740   -0.7340   -2.2650 C   0  5  0  0  0
    0.3880   -1.4420   -2.7450 C   0  0  0  0  0
   -0.9220   -0.8450   -2.6960 C   0  0  0  0  0
   -2.0210   -1.5510   -3.0470 N   0  0  0  0  0
   -3.2170   -0.9550   -2.9930 C   0  0  0  0  0
    2.5840    1.2630   -1.5730 C   0  0  0  0  0
    3.6320    1.6340   -2.3880 C   0  0  0  0  0
    4.7780    2.1360   -1.8010 C   0  0  0  0  0
    4.9010    2.0870   -0.4340 C   0  0  0  0  0
    3.8500    1.5770    0.2930 C   0  0  0  0  0
    2.7460    1.0770   -0.2740 N   0  0  0  0  0
    4.9270   -1.5710   -1.2990 O   0  3  0  0  0
    3.7780   -1.3990   -0.9270 C   0  5  0  0  0
    1.9870   -1.1300   -0.3470 RU  0  0  0  0  0
   -4.4150   -1.7580   -3.3870 C   0  0  0  0  0
    1.3400   -2.1980    3.6090 O   0  0  0  0  0
    1.3030   -1.1930    2.8890 C   0  0  0  0  0
    1.7760   -1.1500    1.5430 C   0  5  0  0  0
    0.6050   -0.9260    0.8200 C   0  0  0  0  0
    2.3910   -2.3140    1.0570 C   0  0  0  0  0
    1.5240   -2.8870    0.1550 C   0  0  0  0  0
    0.3600   -2.0630    0.1020 C   0  0  0  0  0
    0.5960   -0.0580    3.1770 O   0  0  0  0  0
   -0.6160    0.2330    3.8110 C   0  0  0  0  0
   -0.7990    1.6070    4.0370 C   0  0  0  0  0
    0.3090    2.3510    3.7100 O   0  0  0  0  0
    0.2750    3.7830    3.6700 C   0  0  0  0  0
   -1.9880    2.0540    4.6320 C   0  0  0  0  0
   -3.0020    1.1580    4.9100 C   0  0  0  0  0
   -2.8670   -0.1900    4.6340 C   0  0  0  0  0
   -1.6890   -0.6780    4.0440 C   0  0  0  0  0
   -1.4120   -1.9860    3.7220 O   0  0  0  0  0
   -2.4210   -3.0050    3.7240 C   0  0  0  0  0
   -3.4990    2.5760   -1.8430 H   0  0  0  0  0
   -2.0410    2.8910   -1.6180 H   0  0  0  0  0
    0.0950    2.1070   -1.6360 H   0  0  0  0  0
    0.4810   -2.3470   -2.9880 H   0  0  0  0  0
    3.5080    1.6920   -3.3210 H   0  0  0  0  0
    5.4740    2.4840   -2.3340 H   0  0  0  0  0
    5.6810    2.3990   -0.0050 H   0  0  0  0  0
    3.9270    1.5310    1.2330 H   0  0  0  0  0
   -4.1630   -2.4090   -4.0580 H   0  0  0  0  0
   -5.0960   -1.1690   -3.7480 H   0  0  0  0  0
   -4.7670   -2.2160   -2.6080 H   0  0  0  0  0
    0.0860   -0.1360    0.7860 H   0  0  0  0  0
    3.2380   -2.6530    1.3040 H   0  0  0  0  0
    1.6810   -3.6820   -0.3340 H   0  0  0  0  0
   -0.4700   -2.3030   -0.2780 H   0  0  0  0  0
   -0.4380    4.0730    3.0770 H   0  0  0  0  0
    1.1250    4.1150    3.3390 H   0  0  0  0  0
    0.1180    4.1300    4.5620 H   0  0  0  0  0
   -2.1090    2.9660    4.8320 H   0  0  0  0  0
   -3.8030    1.4720    5.3000 H   0  0  0  0  0
   -3.5760   -0.7750    4.8380 H   0  0  0  0  0
   -2.7530   -3.1320    4.6270 H   0  0  0  0  0
   -2.0380   -3.8370    3.4010 H   0  0  0  0  0
   -3.1520   -2.7400    3.1420 H   0  0  0  0  0
  1  2  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  2  3  2  0  0  0
  2  4  1  0  0  0
  3 11  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 42  1  0  0  0
  6  7  2  0  0  0
  6 12  1  0  0  0
  7  8  1  0  0  0
  7 20  1  0  0  0
  8  9  2  0  0  0
  8 43  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 11 21  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 44  1  0  0  0
 14 15  2  0  0  0
 14 45  1  0  0  0
 15 16  1  0  0  0
 15 46  1  0  0  0
 16 17  2  0  0  0
 16 47  1  0  0  0
 17 20  1  0  0  0
 18 19  3  0  0  0
 19 20  1  0  0  0
 20 24  1  0  0  0
 21 48  1  0  0  0
 21 49  1  0  0  0
 21 50  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 23 29  1  0  0  0
 24 25  1  0  0  0
 24 26  1  0  0  0
 25 28  2  0  0  0
 25 51  1  0  0  0
 25 20  1  0  0  0
 26 27  2  0  0  0
 26 52  1  0  0  0
 26 20  1  0  0  0
 27 28  1  0  0  0
 27 53  1  0  0  0
 27 20  1  0  0  0
 28 54  1  0  0  0
 28 20  1  0  0  0
 29 30  1  0  0  0
 30 31  2  0  0  0
 30 37  1  0  0  0
 31 32  1  0  0  0
 31 34  1  0  0  0
 32 33  1  0  0  0
 33 55  1  0  0  0
 33 56  1  0  0  0
 33 57  1  0  0  0
 34 35  2  0  0  0
 34 58  1  0  0  0
 35 36  1  0  0  0
 35 59  1  0  0  0
 36 37  2  0  0  0
 36 60  1  0  0  0
 37 38  1  0  0  0
 38 39  1  0  0  0
 39 61  1  0  0  0
 39 62  1  0  0  0
 39 63  1  0  0  0
M  CHG  1   7  -1
M  CHG  1  18   1
M  CHG  1  19  -1
M  CHG  1  24  -1
M  END
$$$$
