TBE
  CCTOOLS-1004241123

 34 34  0  0  1  0  0  0  0  0999 V2000
   -5.1360    5.9190    2.4630 S   0  0  0  0  0
   -4.0430    6.7950    2.1440 O   0  0  0  0  0
   -6.5000    6.1930    2.1060 O   0  0  0  0  0
   -4.7290    4.3020    1.7520 C   0  0  0  0  0
   -3.3370    3.8790    2.3210 C   0  0  0  0  0
   -2.2880    4.7730    1.8610 N   0  0  0  0  0
   -1.0190    4.6150    2.2090 C   0  0  0  0  0
   -5.8130    3.3230    2.2400 C   0  0  0  0  0
   -4.7000    4.4040    0.1980 C   0  0  0  0  0
   -4.4060    3.1740   -0.5370 N   0  0  0  0  0
   -3.1460    2.8650   -0.8380 N   0  0  0  0  0
   -3.1890    1.7140   -1.4990 N   0  0  0  0  0
   -4.4980    1.3310   -1.5930 C   0  0  0  0  0
   -5.2960    2.2630   -0.9790 C   0  0  0  0  0
   -3.2740    3.8640    3.8420 C   0  0  0  0  0
   -3.5660    2.6450    4.3640 O   0  0  0  0  0
   -2.9960    4.8320    4.5390 O   0  0  0  0  0
    0.0190    5.3740    1.8460 C   0  0  0  0  0
   -0.2120    6.5310    0.9600 C   0  0  0  0  0
    0.7020    7.2610    0.5960 O   0  0  0  0  0
   -3.0700    2.8780    1.9600 H   0  0  0  0  0
   -2.5300    5.5480    1.2510 H   0  0  0  0  0
   -0.8920    3.7560    2.8590 H   0  0  0  0  0
   -6.7990    3.5770    1.8370 H   0  0  0  0  0
   -5.5900    2.2910    1.9490 H   0  0  0  0  0
   -5.8820    3.3270    3.3340 H   0  0  0  0  0
   -5.6670    4.7580   -0.1800 H   0  0  0  0  0
   -3.9560    5.1410   -0.1280 H   0  0  0  0  0
   -4.7930    0.4210   -2.0920 H   0  0  0  0  0
   -6.3640    2.3410   -0.8330 H   0  0  0  0  0
   -3.5400    2.5870    5.3430 H   0  0  0  0  0
    1.0300    5.1740    2.1780 H   0  0  0  0  0
   -1.2540    6.7030    0.6430 H   0  0  0  0  0
   -5.1080    5.7190    3.7820 H   0  0  0  0  0
  1  2  2  0  0  0
  1  3  2  0  0  0
  1  4  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 15  1  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  7 18  2  0  0  0
  7 23  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 10 14  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 29  1  0  0  0
 14 30  1  0  0  0
 15 16  1  0  0  0
 15 17  2  0  0  0
 16 31  1  0  0  0
 18 19  1  0  0  0
 18 32  1  0  0  0
 19 20  2  0  0  0
 19 33  1  0  0  0
 34  1  1  0  0  0
M  END
$$$$
