CQY
  CCTOOLS-0919241039

 56 59  0  0  0  0  0  0  0  0999 V2000
   -6.2050    2.8090    2.4700 C   0  0  0  0  0
   -6.0600    1.3060    2.2260 C   0  0  0  0  0
   -5.0110   -0.2030    0.7190 C   0  0  0  0  0
   -4.2440   -0.5650   -0.3600 C   0  0  0  0  0
   -5.1830   -2.4810    0.9140 C   0  0  0  0  0
   -5.5190   -1.2860    1.4080 C   0  0  0  0  0
   -3.5960    0.3310   -1.2470 C   0  0  0  0  0
   -1.5810    1.1240   -2.3970 C   0  0  0  0  0
   -0.2920    1.5410   -1.6810 C   0  0  0  0  0
   -0.2620   -0.5020   -0.3750 C   0  0  0  0  0
   -1.5490   -1.0030   -1.0380 C   0  0  0  0  0
    1.7330    0.6840   -0.8170 C   0  0  0  0  0
    2.0960    2.0210   -0.7050 C   0  0  0  0  0
    3.3360    2.3600   -0.1980 C   0  0  0  0  0
    4.2180    1.3730    0.1980 C   0  0  0  0  0
    3.8610    0.0350    0.0870 C   0  0  0  0  0
    2.6160   -0.3100   -0.4200 C   0  0  0  0  0
    5.1640   -1.7980   -0.6610 C   0  0  0  0  0
    5.3590   -3.2310   -0.1310 C   0  0  0  0  0
    5.0040   -3.1570    1.3720 C   0  0  0  0  0
    4.1150   -1.8900    1.4560 C   0  0  0  0  0
   -2.2940    0.1570   -1.5480 N   0  0  0  0  0
    0.4770    0.3420   -1.3240 N   0  0  0  0  0
    4.7530   -0.9620    0.4880 N   0  0  0  0  0
    5.5450    1.7420    0.7400 N   0  3  0  0  0
   -5.2400    1.0870    1.0760 O   0  0  0  0  0
   -4.2160    1.2580   -1.7360 O   0  0  0  0  0
    6.3600    0.8740    0.9970 O   0  0  0  0  0
    5.8220    2.9130    0.9280 O   0  5  0  0  0
   -4.1940   -2.3200   -0.4660 S   0  0  0  0  0
   -5.2210    3.2460    2.6370 H   0  0  0  0  0
   -6.6670    3.2760    1.6000 H   0  0  0  0  0
   -6.8300    2.9760    3.3470 H   0  0  0  0  0
   -5.5980    0.8390    3.0960 H   0  0  0  0  0
   -7.0450    0.8680    2.0580 H   0  0  0  0  0
   -5.4970   -3.4250    1.3330 H   0  0  0  0  0
   -6.1430   -1.1750    2.2830 H   0  0  0  0  0
   -2.2080    2.0000   -2.5610 H   0  0  0  0  0
   -1.3380    0.6620   -3.3540 H   0  0  0  0  0
    0.3030    2.1720   -2.3410 H   0  0  0  0  0
   -0.5410    2.0960   -0.7760 H   0  0  0  0  0
   -0.5120    0.0800    0.5110 H   0  0  0  0  0
    0.3550   -1.3540   -0.0890 H   0  0  0  0  0
   -1.3010   -1.6710   -1.8630 H   0  0  0  0  0
   -2.1540   -1.5370   -0.3050 H   0  0  0  0  0
    1.4100    2.7950   -1.0140 H   0  0  0  0  0
    3.6160    3.4000   -0.1110 H   0  0  0  0  0
    2.3360   -1.3490   -0.5070 H   0  0  0  0  0
    6.1010   -1.4250   -1.0750 H   0  0  0  0  0
    4.3870   -1.7880   -1.4250 H   0  0  0  0  0
    4.6880   -3.9190   -0.6450 H   0  0  0  0  0
    6.3950   -3.5440   -0.2590 H   0  0  0  0  0
    4.4460   -4.0410    1.6810 H   0  0  0  0  0
    5.9030   -3.0370    1.9760 H   0  0  0  0  0
    3.0920   -2.1170    1.1540 H   0  0  0  0  0
    4.1340   -1.4730    2.4630 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  2  0  0  0
  3  6  1  0  0  0
  4 30  1  0  0  0
  5 36  1  0  0  0
  6  5  2  0  0  0
  6 37  1  0  0  0
  7  4  1  0  0  0
  7 22  1  0  0  0
  8 22  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9  8  1  0  0  0
  9 23  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
 10 11  1  0  0  0
 10 42  1  0  0  0
 10 43  1  0  0  0
 11 44  1  0  0  0
 11 45  1  0  0  0
 12 17  2  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 46  1  0  0  0
 14 15  1  0  0  0
 14 47  1  0  0  0
 15 25  1  0  0  0
 16 24  1  0  0  0
 16 15  2  0  0  0
 17 16  1  0  0  0
 17 48  1  0  0  0
 18 19  1  0  0  0
 18 24  1  0  0  0
 18 49  1  0  0  0
 18 50  1  0  0  0
 19 20  1  0  0  0
 19 51  1  0  0  0
 19 52  1  0  0  0
 20 21  1  0  0  0
 20 53  1  0  0  0
 20 54  1  0  0  0
 21 55  1  0  0  0
 21 56  1  0  0  0
 22 11  1  0  0  0
 23 10  1  0  0  0
 23 12  1  0  0  0
 24 21  1  0  0  0
 25 29  1  0  0  0
 26  2  1  0  0  0
 26  3  1  0  0  0
 27  7  2  0  0  0
 28 25  2  0  0  0
 30  5  1  0  0  0
M  CHG  1  25   1
M  CHG  1  29  -1
M  END
$$$$
