4A1
  CCTOOLS-0919241030

 29 29  0  0  0  0  0  0  0  0999 V2000
   -3.4640    0.2110   -1.1370 C   0  0  0  0  0
   -3.7360    0.4800   -2.6180 C   0  0  0  0  0
    2.0690    0.0260   -0.1450 C   0  0  0  0  0
   -0.0130   -0.6260    0.9030 N   0  0  0  0  0
    3.5570   -1.7100   -1.0080 O   0  0  0  0  0
   -1.6460   -0.3660    0.8240 S   0  0  0  0  0
    0.8690    0.3670    0.4980 C   0  0  0  0  0
    1.6390   -2.2630   -0.0340 O   0  0  0  0  0
    0.5680    1.7040    0.7280 C   0  0  0  0  0
   -2.2180   -1.6060    1.2200 O   0  0  0  0  0
    1.4460    2.6890    0.3250 C   0  0  0  0  0
   -1.8510    0.8130    1.5910 O   0  0  0  0  0
    2.6310    2.3560   -0.3110 C   0  0  0  0  0
    2.9470    1.0360   -0.5470 C   0  0  0  0  0
    2.4030   -1.3880   -0.3890 C   0  0  0  0  0
   -1.9700   -0.0470   -0.9320 C   0  0  0  0  0
   -3.7670    1.0770   -0.5490 H   0  0  0  0  0
   -4.0310   -0.6630   -0.8160 H   0  0  0  0  0
   -3.1690    1.3530   -2.9390 H   0  0  0  0  0
   -3.4330   -0.3860   -3.2060 H   0  0  0  0  0
   -4.8010    0.6640   -2.7640 H   0  0  0  0  0
    0.3280   -1.4730    1.2320 H   0  0  0  0  0
    3.7330   -2.6510   -1.1460 H   0  0  0  0  0
   -0.3540    1.9720    1.2220 H   0  0  0  0  0
    1.2070    3.7270    0.5060 H   0  0  0  0  0
    3.3110    3.1350   -0.6230 H   0  0  0  0  0
    3.8720    0.7820   -1.0430 H   0  0  0  0  0
   -1.6670   -0.9140   -1.5200 H   0  0  0  0  0
   -1.4030    0.8260   -1.2530 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  7  2  0  0  0
  4  6  1  0  0  0
  4 22  1  0  0  0
  5 23  1  0  0  0
  6 12  2  0  0  0
  6 16  1  0  0  0
  7  9  1  0  0  0
  7  4  1  0  0  0
  8 15  2  0  0  0
  9 24  1  0  0  0
 10  6  2  0  0  0
 11  9  2  0  0  0
 11 25  1  0  0  0
 13 11  1  0  0  0
 13 26  1  0  0  0
 14 13  2  0  0  0
 14  3  1  0  0  0
 14 27  1  0  0  0
 15  3  1  0  0  0
 15  5  1  0  0  0
 16  1  1  0  0  0
 16 28  1  0  0  0
 16 29  1  0  0  0
M  END
$$$$