NBY
  CCTOOLS-0919241038

 43 44  0  0  1  0  0  0  0  0999 V2000
   -3.2880   -0.7460   -0.5900 O   0  0  0  0  0
   -2.7280    0.3150    0.1860 C   0  0  0  0  0
   -3.5190    1.6020   -0.0630 C   0  0  0  0  0
   -2.9960    2.6500    0.7560 O   0  0  0  0  0
   -4.9910    1.3630    0.2880 C   0  0  0  0  0
   -5.7500    2.5360   -0.0110 O   0  0  0  0  0
   -5.5170    0.1870   -0.5400 C   0  0  0  0  0
   -6.8690   -0.0920   -0.1680 O   0  0  0  0  0
   -4.6490   -1.0450   -0.2720 C   0  0  0  0  0
   -5.1320   -2.2090   -1.1400 C   0  0  0  0  0
   -4.3970   -3.3880   -0.8080 O   0  0  0  0  0
   -1.3300    0.5180   -0.2010 N   0  0  0  0  0
   -0.3430   -0.0800    0.4950 C   0  0  0  0  0
   -0.6130   -0.7880    1.4460 O   0  0  0  0  0
    0.9430    0.1070    0.1390 N   0  0  0  0  0
    1.9290   -0.4910    0.8350 C   0  0  0  0  0
    1.6590   -1.1990    1.7850 O   0  0  0  0  0
    3.3390   -0.2870    0.4440 C   0  0  0  0  0
    4.3640   -0.9050    1.1640 C   0  0  0  0  0
    5.6780   -0.7090    0.7930 C   0  0  0  0  0
    5.9820    0.0980   -0.2890 C   0  0  0  0  0
    4.9720    0.7130   -1.0070 C   0  0  0  0  0
    3.6530    0.5210   -0.6500 C   0  0  0  0  0
    7.3950    0.3080   -0.6770 N   0  3  0  0  0
    7.6660    1.0220   -1.6260 O   0  0  0  0  0
    8.2870   -0.2320   -0.0470 O   0  5  0  0  0
   -2.7780    0.0570    1.2440 H   0  0  0  0  0
   -3.4360    1.8820   -1.1130 H   0  0  0  0  0
   -2.0650    2.8510    0.5900 H   0  0  0  0  0
   -5.0790    1.1320    1.3500 H   0  0  0  0  0
   -5.4650    3.3230    0.4740 H   0  0  0  0  0
   -5.4760    0.4390   -1.5990 H   0  0  0  0  0
   -7.4750    0.6490   -0.3070 H   0  0  0  0  0
   -4.7240   -1.3210    0.7800 H   0  0  0  0  0
   -6.1940   -2.3790   -0.9620 H   0  0  0  0  0
   -4.9740   -1.9670   -2.1920 H   0  0  0  0  0
   -4.6510   -4.1680   -1.3210 H   0  0  0  0  0
   -1.1140    1.0830   -0.9600 H   0  0  0  0  0
    1.1590    0.6720   -0.6200 H   0  0  0  0  0
    4.1280   -1.5340    2.0090 H   0  0  0  0  0
    6.4710   -1.1870    1.3490 H   0  0  0  0  0
    5.2160    1.3420   -1.8500 H   0  0  0  0  0
    2.8660    1.0020   -1.2120 H   0  0  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2  1  1  0  0  0
  2 27  1  0  0  0
  3  5  1  0  0  0
  3 28  1  0  0  0
  4  3  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  5 30  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8 33  1  0  0  0
  9  7  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 37  1  0  0  0
 12  2  1  0  0  0
 12 38  1  0  0  0
 13 14  2  0  0  0
 13 12  1  0  0  0
 15 13  1  0  0  0
 15 39  1  0  0  0
 16 15  1  0  0  0
 16 17  2  0  0  0
 18 16  1  0  0  0
 19 18  1  0  0  0
 19 40  1  0  0  0
 20 19  2  0  0  0
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 22 23  1  0  0  0
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 23 18  2  0  0  0
 23 43  1  0  0  0
 24 21  1  0  0  0
 25 24  2  0  0  0
 26 24  1  0  0  0
M  CHG  1  24   1
M  CHG  1  26  -1
M  END
$$$$
