A1JKU
  CCTOOLS-0522260957

 40 42  0  0  1  0  0  0  0  0999 V2000
    4.6420    0.3510    0.0200 C   0  0  0  0  0
    5.1040    1.4080   -0.7690 C   0  0  0  0  0
    6.4440    1.7350   -0.7610 C   0  0  0  0  0
    3.2100   -0.0050    0.0170 C   0  0  0  0  0
    2.8350   -1.3350   -0.0950 C   0  0  0  0  0
    0.5290   -0.6630    0.0120 C   0  0  0  0  0
   -3.2460   -0.3240    0.1030 C   0  0  0  0  0
   -5.3720   -0.6290   -1.1840 C   0  0  0  0  0
    0.1310    1.5760    0.2270 O   0  0  0  0  0
    0.9550    0.6830    0.1300 C   0  0  0  0  0
   -0.9040   -0.9910    0.0110 C   0  0  0  0  0
   -1.2620   -2.1530    0.0340 O   0  0  0  0  0
   -1.8210   -0.0040   -0.0150 N   0  0  0  0  0
   -4.0220    0.9020    0.6500 C   0  0  0  0  0
   -3.8330   -0.6330   -1.2860 C   0  0  0  0  0
   -5.7540    0.5130    0.1940 S   0  0  0  0  0
   -6.3780    1.6810   -0.3210 O   0  0  0  0  0
   -6.3680   -0.2120    1.2500 O   0  0  0  0  0
    2.2690    0.9790    0.1300 N   0  0  0  0  0
    3.7830   -2.3050   -0.2000 O   0  0  0  0  0
    1.4840   -1.6750   -0.0980 C   0  0  0  0  0
    7.3300    1.0200    0.0250 C   0  0  0  0  0
    6.8790   -0.0280    0.8090 C   0  0  0  0  0
    5.5430   -0.3700    0.8070 C   0  0  0  0  0
    4.4140    1.9670   -1.3840 H   0  0  0  0  0
    6.8020    2.5520   -1.3700 H   0  0  0  0  0
   -3.3820   -1.1790    0.7650 H   0  0  0  0  0
   -5.8110   -0.2640   -2.1120 H   0  0  0  0  0
   -5.7390   -1.6300   -0.9600 H   0  0  0  0  0
   -1.5380    0.9190   -0.1130 H   0  0  0  0  0
   -3.9140    0.9760    1.7330 H   0  0  0  0  0
   -3.6880    1.8190    0.1660 H   0  0  0  0  0
   -3.5110    0.1260   -1.9970 H   0  0  0  0  0
   -3.4910   -1.6130   -1.6180 H   0  0  0  0  0
    2.5500    1.9030    0.2110 H   0  0  0  0  0
    3.4240   -3.2000   -0.2740 H   0  0  0  0  0
    1.1800   -2.7080   -0.1890 H   0  0  0  0  0
    8.3780    1.2810    0.0270 H   0  0  0  0  0
    7.5760   -0.5820    1.4190 H   0  0  0  0  0
    5.1940   -1.1910    1.4160 H   0  0  0  0  0
  1  4  1  0  0  0
  1 24  2  0  0  0
  2  1  1  0  0  0
  2 25  1  0  0  0
  3  2  2  0  0  0
  3 26  1  0  0  0
  4 19  1  0  0  0
  5  4  2  0  0  0
  6 21  2  0  0  0
  6 10  1  0  0  0
  7 13  1  0  0  0
  7 27  1  0  0  0
  8 15  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
 10  9  2  0  0  0
 11  6  1  0  0  0
 12 11  2  0  0  0
 13 11  1  0  0  0
 13 30  1  0  0  0
 14  7  1  0  0  0
 14 31  1  0  0  0
 14 32  1  0  0  0
 15  7  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
 16 14  1  0  0  0
 16  8  1  0  0  0
 17 16  2  0  0  0
 18 16  2  0  0  0
 19 10  1  0  0  0
 19 35  1  0  0  0
 20  5  1  0  0  0
 20 36  1  0  0  0
 21  5  1  0  0  0
 21 37  1  0  0  0
 22  3  1  0  0  0
 22 38  1  0  0  0
 23 22  2  0  0  0
 23 39  1  0  0  0
 24 23  1  0  0  0
 24 40  1  0  0  0
M  END
$$$$
