JSC
  CCTOOLS-0807261402

 58 68  0  0  1  0  0  0  0  0999 V2000
    3.5590    0.6130    2.2770 RU  0  0  0  0  0
    2.9480    2.4280    3.3180 C   0  0  0  0  0
    2.5220    1.3230    4.0670 C   0  0  0  0  0
    1.6020    0.6030    3.2790 C   0  0  0  0  0
    1.4750    1.2410    2.0380 C   0  0  0  0  0
    2.2960    2.3790    2.0600 C   0  5  0  0  0
    5.6750    1.1320    2.1470 C   0  0  0  0  0
    5.5670   -0.2510    2.1210 C   0  0  0  0  0
    4.8290   -0.6210    0.9910 C   0  0  0  0  0
    4.4880    0.5370    0.3030 C   0  0  0  0  0
    5.0080    1.6300    1.0080 C   0  5  0  0  0
    4.5240   -2.0220    0.6480 C   0  0  0  0  0
    3.5930   -2.4230   -0.4730 C   0  0  0  0  0
    2.1950   -2.8120    0.0050 C   0  0  0  0  0
    1.0790   -2.5150   -0.9770 C   0  0  0  0  0
    5.0460   -2.9320    1.2730 O   0  0  0  0  0
    0.9480   -3.2230   -1.9890 O   0  0  0  0  0
    0.2720   -1.4680   -0.7030 N   0  0  0  0  0
   -0.9150   -1.0830   -1.4650 C   0  0  0  0  0
   -0.6170    0.1710   -2.2870 C   0  0  0  0  0
   -3.4170   -0.8540   -1.3140 N   0  0  0  0  0
   -2.1590   -0.9470   -0.5480 C   0  0  0  0  0
    0.1330    1.0570   -1.9320 O   0  0  0  0  0
   -2.1120    0.5300    0.5380 S   0  0  0  0  0
   -3.8720    0.9940    0.1930 C   0  0  0  0  0
   -4.0470    0.4760   -1.2850 C   0  0  0  0  0
   -4.7590    0.3630    1.2690 C   0  0  0  0  0
   -3.9220    2.5200    0.2850 C   0  0  0  0  0
   -5.4830    0.4040   -1.7780 C   0  0  0  0  0
   -6.1900   -0.5790   -1.6710 O   0  0  0  0  0
   -5.8730    1.5320   -2.3410 O   0  0  0  0  0
   -1.2730    0.1810   -3.4230 O   0  0  0  0  0
    3.9850   -3.1840   -0.9510 H   0  0  0  0  0
    3.5190   -1.6820   -1.1120 H   0  0  0  0  0
    2.0170   -2.3500    0.8490 H   0  0  0  0  0
    2.1980   -3.7720    0.1920 H   0  0  0  0  0
    0.5010   -0.9640   -0.0240 H   0  0  0  0  0
   -1.1320   -1.8140   -2.0970 H   0  0  0  0  0
   -3.9710   -1.5170   -1.1340 H   0  0  0  0  0
   -2.2010   -1.7310    0.0530 H   0  0  0  0  0
   -3.5500    1.0640   -1.9050 H   0  0  0  0  0
   -4.4520    0.6370    2.1530 H   0  0  0  0  0
   -4.7110   -0.6080    1.2040 H   0  0  0  0  0
   -5.6830    0.6460    1.1440 H   0  0  0  0  0
   -4.8240    2.8340    0.0890 H   0  0  0  0  0
   -3.3000    2.9100   -0.3560 H   0  0  0  0  0
   -3.6700    2.8060    1.1830 H   0  0  0  0  0
   -6.7010    1.4830   -2.6270 H   0  0  0  0  0
   -1.1020    0.9010   -3.8950 H   0  0  0  0  0
    3.5600    3.0850    3.6000 H   0  0  0  0  0
    2.7890    1.1100    4.9440 H   0  0  0  0  0
    1.1640   -0.1890    3.5360 H   0  0  0  0  0
    0.9230    0.9680    1.3260 H   0  0  0  0  0
    2.4040    2.9960    1.3580 H   0  0  0  0  0
    6.1200    1.6440    2.7990 H   0  0  0  0  0
    5.9190   -0.8470    2.7600 H   0  0  0  0  0
    3.9940    0.5820   -0.4980 H   0  0  0  0  0
    4.9210    2.5360    0.7700 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1  5  1  0  0  0
  1  6  1  0  0  0
  1  7  1  0  0  0
  1  8  1  0  0  0
  1  9  1  0  0  0
  1 10  1  0  0  0
  1 11  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 12  1  0  0  0
 10 11  1  0  0  0
 12 13  1  0  0  0
 12 16  2  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 15 17  2  0  0  0
 15 18  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 19 38  1  0  0  0
 20 23  2  0  0  0
 20 32  1  0  0  0
 21 22  1  0  0  0
 21 26  1  0  0  0
 21 39  1  0  0  0
 22 24  1  0  0  0
 22 40  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 27  1  0  0  0
 25 28  1  0  0  0
 26 29  1  0  0  0
 26 41  1  0  0  0
 27 42  1  0  0  0
 27 43  1  0  0  0
 27 44  1  0  0  0
 28 45  1  0  0  0
 28 46  1  0  0  0
 28 47  1  0  0  0
 29 30  2  0  0  0
 29 31  1  0  0  0
 31 48  1  0  0  0
 32 49  1  0  0  0
 50  2  1  0  0  0
 51  3  1  0  0  0
 52  4  1  0  0  0
 53  5  1  0  0  0
 54  6  1  0  0  0
 55  7  1  0  0  0
 56  8  1  0  0  0
 57 10  1  0  0  0
 58 11  1  0  0  0
M  CHG  1   6  -1
M  CHG  1  11  -1
M  END
$$$$
