A1DOB
  CCTOOLS-0731261037

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.0950   -0.6080    1.3620 O   0  0  0  0  0
    2.5110   -0.8090    0.2460 C   0  0  0  0  0
    3.6750   -1.4540    0.0700 O   0  0  0  0  0
    1.7210   -0.3410   -0.9490 C   0  0  0  0  0
    0.4970    0.3240   -0.4950 N   0  0  0  0  0
    0.4830    1.6390   -0.2570 C   0  0  0  0  0
    1.4150    2.4140   -0.3760 O   0  0  0  0  0
   -1.1640    2.0280    0.2640 S   0  0  0  0  0
   -1.7540    0.3650    0.1310 C   0  0  0  0  0
   -2.9900   -0.2070    0.3690 C   0  0  0  0  0
   -3.1700   -1.5640    0.1770 C   0  0  0  0  0
   -2.1050   -2.3370   -0.2520 C   0  0  0  0  0
   -0.8740   -1.7720   -0.4900 C   0  0  0  0  0
   -0.6690   -0.3960   -0.3080 C   0  0  0  0  0
    4.1440   -1.7390    0.8660 H   0  0  0  0  0
    2.3210    0.3600   -1.5290 H   0  0  0  0  0
    1.4600   -1.1970   -1.5700 H   0  0  0  0  0
   -3.8140    0.4050    0.7040 H   0  0  0  0  0
   -4.1330   -2.0170    0.3610 H   0  0  0  0  0
   -2.2430   -3.3980   -0.4030 H   0  0  0  0  0
   -0.0570   -2.3930   -0.8250 H   0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4 16  1  0  0  0
  4 17  1  0  0  0
  5  6  1  0  0  0
  5 14  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 18  1  0  0  0
 11 12  2  0  0  0
 11 19  1  0  0  0
 12 13  1  0  0  0
 12 20  1  0  0  0
 13 14  2  0  0  0
 13 21  1  0  0  0
M  END
$$$$
