A1CXN
  CCTOOLS-0612260951

 30 32  0  0  0  0  0  0  0  0999 V2000
    1.1990   -1.7020    0.0970 C   0  0  0  0  0
    2.4560   -0.9350    0.0260 C   0  0  0  0  0
    3.6150   -1.5330   -0.4770 C   0  0  0  0  0
    4.7880   -0.8140   -0.5440 C   0  0  0  0  0
    4.8240    0.5050   -0.1120 C   0  0  0  0  0
    3.6710    1.1090    0.3920 C   0  0  0  0  0
    2.4900    0.3960    0.4560 C   0  0  0  0  0
   -0.0970   -1.0030    0.0220 C   0  0  0  0  0
   -2.3390   -0.8030    0.0920 C   0  0  0  0  0
   -3.6980   -1.1820    0.2290 C   0  0  0  0  0
   -4.6900   -0.2600    0.0940 C   0  0  0  0  0
   -4.3890    1.0790   -0.1840 C   0  0  0  0  0
   -3.0750    1.4740   -0.3210 C   0  0  0  0  0
   -2.0470    0.5410   -0.1850 C   0  0  0  0  0
   -1.2490   -1.5630    0.1890 N   0  0  0  0  0
    1.2320   -2.9130    0.2130 O   0  0  0  0  0
    5.9830    1.2090   -0.1780 O   0  0  0  0  0
    3.7090    2.4010    0.8150 O   0  0  0  0  0
   -5.9880   -0.6430    0.2280 O   0  0  0  0  0
   -5.3900    1.9880   -0.3170 O   0  0  0  0  0
   -0.2970    0.7140   -0.2990 S   0  0  0  0  0
    3.5910   -2.5590   -0.8140 H   0  0  0  0  0
    5.6830   -1.2780   -0.9330 H   0  0  0  0  0
    1.5970    0.8620    0.8450 H   0  0  0  0  0
   -3.9480   -2.2100    0.4430 H   0  0  0  0  0
   -2.8420    2.5070   -0.5350 H   0  0  0  0  0
    6.1060    1.6850   -1.0110 H   0  0  0  0  0
    3.5080    3.0470    0.1240 H   0  0  0  0  0
   -6.3240   -0.5840    1.1330 H   0  0  0  0  0
   -5.6410    2.4210    0.5100 H   0  0  0  0  0
  1  8  1  0  0  0
  2  1  1  0  0  0
  3  2  2  0  0  0
  3 22  1  0  0  0
  4  3  1  0  0  0
  4 23  1  0  0  0
  5  4  2  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  7  2  1  0  0  0
  7 24  1  0  0  0
  8 15  2  0  0  0
  8 21  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 25  1  0  0  0
 11 12  1  0  0  0
 11 19  1  0  0  0
 12 20  1  0  0  0
 13 12  2  0  0  0
 13 26  1  0  0  0
 14  9  2  0  0  0
 14 13  1  0  0  0
 15  9  1  0  0  0
 16  1  2  0  0  0
 17  5  1  0  0  0
 17 27  1  0  0  0
 18  6  1  0  0  0
 18 28  1  0  0  0
 19 29  1  0  0  0
 20 30  1  0  0  0
 21 14  1  0  0  0
M  END
$$$$
