TBI
  CCTOOLS-1004241123

 34 34  0  0  1  0  0  0  0  0999 V2000
    0.2060    1.7040    2.3900 C   0  0  0  0  0
   -0.8410    1.8020    3.2720 C   0  0  0  0  0
   -1.7790    2.6650    2.7780 N   0  0  0  0  0
   -1.3450    3.1110    1.6050 N   0  0  0  0  0
   -0.1660    2.5290    1.3920 N   0  0  0  0  0
    0.5810    2.8210    0.1690 C   0  0  0  0  0
    0.3050    1.9010   -1.0580 C   0  0  0  0  0
    1.3460    2.4110   -2.4510 S   0  0  0  0  0
    0.9060    3.7240   -2.8340 O   0  0  0  0  0
    2.7020    2.1080   -2.0840 O   0  0  0  0  0
    0.6600    0.4320   -0.7600 C   0  0  0  0  0
   -1.1820    2.0040   -1.5240 C   0  0  0  0  0
   -1.4870    1.2070   -2.7840 C   0  0  0  0  0
   -1.3510    1.6270   -3.9270 O   0  0  0  0  0
   -1.9320   -0.0470   -2.5140 O   0  0  0  0  0
   -1.5540    3.3820   -1.7930 N   0  0  0  0  0
   -2.7680    3.7230   -2.1990 C   0  0  0  0  0
   -3.2130    4.9530   -2.4740 C   0  0  0  0  0
   -4.6090    5.1290   -2.9170 C   0  0  0  0  0
   -5.0710    6.2320   -3.1820 O   0  0  0  0  0
    1.1300    1.1440    2.3990 H   0  0  0  0  0
   -0.9650    1.3040    4.2220 H   0  0  0  0  0
    1.6420    2.7810    0.4460 H   0  0  0  0  0
    0.3690    3.8690   -0.0780 H   0  0  0  0  0
    1.6910    0.3280   -0.4060 H   0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0
    0.5450   -0.1890   -1.6570 H   0  0  0  0  0
   -1.8520    1.6530   -0.7300 H   0  0  0  0  0
   -2.1400   -0.6000   -3.2970 H   0  0  0  0  0
   -0.8620    4.1150   -1.6660 H   0  0  0  0  0
   -3.4100    2.8540   -2.2950 H   0  0  0  0  0
   -2.5870    5.8320   -2.3840 H   0  0  0  0  0
   -5.2160    4.2120   -2.9970 H   0  0  0  0  0
    1.0110    1.5800   -3.4400 H   0  0  0  0  0
  1  2  2  0  0  0
  1  5  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  6 24  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  7 12  1  0  0  0
  8  9  2  0  0  0
  8 10  2  0  0  0
 11 25  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
 12 13  1  0  0  0
 12 16  1  0  0  0
 12 28  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 15 29  1  0  0  0
 16 17  1  0  0  0
 16 30  1  0  0  0
 17 18  2  0  0  0
 17 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  8  1  0  0  0
M  END
$$$$
