GDB
  CCTOOLS-0410261002

 51 51  0  0  1  0  0  0  0  0999 V2000
    6.2400   -1.7780    2.0970 N   0  0  0  0  0
    5.9100   -2.2830    0.7570 C   0  0  0  0  0
    7.1810   -2.5210   -0.0170 C   0  0  0  0  0
    8.2050   -1.9770    0.3220 O   0  0  0  0  0
    7.1750   -3.3370   -1.0820 O   0  0  0  0  0
    5.0500   -1.2540    0.0210 C   0  0  0  0  0
    3.7070   -1.1040    0.7390 C   0  0  0  0  0
    2.8600   -0.0900    0.0150 C   0  0  0  0  0
    3.2880    0.4590   -0.9790 O   0  0  0  0  0
    1.6270    0.2060    0.4700 N   0  0  0  0  0
    0.8030    1.1920   -0.2350 C   0  0  0  0  0
    1.1560    2.5760    0.2450 C   0  0  0  0  0
    2.0110    2.7250    1.0920 O   0  0  0  0  0
   -0.6750    0.9160    0.0470 C   0  0  0  0  0
   -1.1000   -0.7500   -0.5300 S   0  0  0  0  0
    0.5210    3.6490   -0.2680 N   0  0  0  0  0
    0.8640    4.9950    0.1990 C   0  0  0  0  0
    0.0170    6.0090   -0.5260 C   0  0  0  0  0
   -0.7910    5.6450   -1.3480 O   0  0  0  0  0
    0.1590    7.3170   -0.2590 O   0  0  0  0  0
   -2.8100   -0.8850   -0.1280 C   0  0  0  0  0
   -3.5060   -2.0510   -0.4250 C   0  0  0  0  0
   -2.8110   -3.1820   -1.0800 N   0  3  0  0  0
   -3.4210   -4.2040   -1.3400 O   0  0  0  0  0
   -1.6290   -3.0920   -1.3580 O   0  5  0  0  0
   -4.8460   -2.1530   -0.1080 C   0  0  0  0  0
   -5.4960   -1.0970    0.5030 C   0  0  0  0  0
   -6.9330   -1.2100    0.8410 N   0  3  0  0  0
   -7.5410   -2.2330    0.5800 O   0  0  0  0  0
   -7.5070   -0.2810    1.3790 O   0  5  0  0  0
   -4.8070    0.0650    0.8010 C   0  0  0  0  0
   -3.4660    0.1720    0.4920 C   0  0  0  0  0
    6.7510   -0.9100    2.0400 H   0  0  0  0  0
    5.4080   -1.6710    2.6580 H   0  0  0  0  0
    5.3590   -3.2190    0.8480 H   0  0  0  0  0
    8.0140   -3.4590   -1.5470 H   0  0  0  0  0
    5.5640   -0.2930    0.0090 H   0  0  0  0  0
    4.8790   -1.5880   -1.0020 H   0  0  0  0  0
    3.1930   -2.0650    0.7520 H   0  0  0  0  0
    3.8780   -0.7700    1.7630 H   0  0  0  0  0
    1.2840   -0.2330    1.2640 H   0  0  0  0  0
    0.9880    1.1200   -1.3060 H   0  0  0  0  0
   -0.8610    0.9880    1.1190 H   0  0  0  0  0
   -1.2880    1.6490   -0.4770 H   0  0  0  0  0
   -0.1630    3.5300   -0.9450 H   0  0  0  0  0
    0.6790    5.0670    1.2700 H   0  0  0  0  0
    1.9170    5.1920   -0.0020 H   0  0  0  0  0
   -0.4060    7.9290   -0.7490 H   0  0  0  0  0
   -5.3870   -3.0590   -0.3390 H   0  0  0  0  0
   -5.3180    0.8880    1.2790 H   0  0  0  0  0
   -2.9270    1.0780    0.7290 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2 35  1  0  0  0
  3  4  2  0  0  0
  3  5  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 11 42  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 14 44  1  0  0  0
 15 21  1  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
 17 18  1  0  0  0
 17 46  1  0  0  0
 17 47  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 20 48  1  0  0  0
 21 22  2  0  0  0
 21 32  1  0  0  0
 22 23  1  0  0  0
 22 26  1  0  0  0
 23 24  2  0  0  0
 23 25  1  0  0  0
 26 27  2  0  0  0
 26 49  1  0  0  0
 27 28  1  0  0  0
 27 31  1  0  0  0
 28 29  2  0  0  0
 28 30  1  0  0  0
 31 32  2  0  0  0
 31 50  1  0  0  0
 32 51  1  0  0  0
M  CHG  1  23   1
M  CHG  1  25  -1
M  CHG  1  28   1
M  CHG  1  30  -1
M  END
$$$$
