T8K
  CCTOOLS-0807261403

 47 48  0  0  1  0  0  0  0  0999 V2000
    1.0460   -1.9270    2.5100 O   0  0  0  0  0
   -1.0570   -2.0040    2.2220 O   0  5  0  0  0
   -0.1770   -0.1590    2.8550 O   0  5  0  0  0
    3.4710    0.7310    1.0930 N   0  0  0  0  0
    2.2970   -0.2380    4.0610 O   0  0  0  0  0
    0.6470    1.9890    4.6460 O   0  0  0  0  0
    1.5670    0.5650   -0.0330 N   0  0  0  0  0
    0.4210    2.7820    1.8900 O   0  0  0  0  0
    1.3800    1.2340    2.8970 RU  0  0  0  0  0
    0.5660   -1.2900   -2.1740 O   0  0  0  0  0
   -0.2680   -0.8870   -1.0870 C   0  0  0  0  0
   -1.7410   -0.8580   -1.5680 C   0  0  0  0  0
   -2.0930   -2.1910   -1.9410 O   0  0  0  0  0
   -2.7040   -0.2850   -0.5250 C   0  0  0  0  0
   -2.9200   -1.2920    0.4670 O   0  0  0  0  0
   -2.1650    1.0470    0.0310 C   0  0  0  0  0
   -2.8860    1.6150    1.2350 C   0  0  0  0  0
   -4.2030    2.0480    0.9130 O   0  0  0  0  0
   -0.7920    0.9130    0.4630 O   0  0  0  0  0
    0.1490    0.5000   -0.5610 C   0  0  0  0  0
    2.0930    0.6950    1.2540 C   0  6  0  0  0
    2.6420    0.5690   -0.8760 C   0  0  0  0  0
    3.7750    0.6520   -0.2110 C   0  0  0  0  0
    4.4400    0.8530    2.1830 C   0  0  0  0  0
   -0.0510   -1.3540    2.5250 N   0  3  0  0  0
    0.4680   -2.1100   -2.3410 H   0  0  0  0  0
   -0.1810   -1.5570   -0.3630 H   0  0  0  0  0
   -1.7980   -0.2940   -2.3770 H   0  0  0  0  0
   -2.8190   -2.2020   -2.3700 H   0  0  0  0  0
   -3.5800   -0.1140   -0.9630 H   0  0  0  0  0
   -3.6490   -1.1790    0.8710 H   0  0  0  0  0
   -2.2060    1.7270   -0.6990 H   0  0  0  0  0
   -2.3740    2.3830    1.5870 H   0  0  0  0  0
   -2.9340    0.9300    1.9460 H   0  0  0  0  0
   -4.5750    2.3580    1.6070 H   0  0  0  0  0
    0.1190    1.1490   -1.3110 H   0  0  0  0  0
    2.5530    0.4940   -1.8160 H   0  0  0  0  0
    4.6440    0.6600   -0.5800 H   0  0  0  0  0
    4.0820    1.4360    2.8690 H   0  0  0  0  0
    5.2700    1.2240    1.8480 H   0  0  0  0  0
    4.6100   -0.0220    2.5630 H   0  0  0  0  0
   -0.2020    2.1230    4.5700 H   0  0  0  0  0
   -0.1670    3.1470    2.4060 H   0  0  0  0  0
    1.7010   -0.6950    4.4850 H   0  0  0  0  0
    2.7820    0.1460    4.6640 H   0  0  0  0  0
    1.0160    2.7530    4.8050 H   0  0  0  0  0
    0.9960    3.3910    1.6830 H   0  0  0  0  0
  1 25  2  0  0  0
  3 25  1  0  0  0
  3  9  1  0  0  0
  4 23  1  0  0  0
  4 21  1  0  0  0
  5 44  1  0  0  0
  6  9  1  0  0  0
  6 42  1  0  0  0
  7 20  1  0  0  0
  8  9  1  0  0  0
  8 43  1  0  0  0
  9 21  1  0  0  0
  9  5  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 12 28  1  0  0  0
 13 29  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 15 31  1  0  0  0
 16 14  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
 18 35  1  0  0  0
 19 16  1  0  0  0
 20 11  1  0  0  0
 20 19  1  0  0  0
 20 36  1  0  0  0
 21  7  1  0  0  0
 22  7  1  0  0  0
 22 37  1  0  0  0
 23 22  2  0  0  0
 23 38  1  0  0  0
 24  4  1  0  0  0
 24 39  1  0  0  0
 24 40  1  0  0  0
 24 41  1  0  0  0
 25  2  1  0  0  0
 45  5  1  0  0  0
 46  6  1  0  0  0
 47  8  1  0  0  0
M  CHG  1   2  -1
M  CHG  1   3  -1
M  CHG  1  21  -2
M  CHG  1  25   1
M  END
$$$$
