DGK
  CCTOOLS-0424261114

 64 66  0  0  1  0  0  0  0  0999 V2000
   -2.8770   -2.4530    0.1290 C   0  0  0  0  0
   -2.2700   -2.6320   -0.9000 O   0  0  0  0  0
   -2.6480   -1.1970    0.9300 C   0  0  0  0  0
   -3.9620   -0.4210    1.0470 C   0  0  0  0  0
   -4.5020   -0.1750   -0.2840 N   0  0  0  0  0
   -5.1580   -1.3950    2.0110 S   0  0  0  0  0
   -6.7150   -0.5440    1.6000 C   0  0  0  0  0
   -6.9160   -0.6410    0.0860 C   0  0  0  0  0
   -7.2860   -2.0810   -0.2770 C   0  0  0  0  0
   -5.6860   -0.2530   -0.6610 C   0  0  0  0  0
   -5.9090    0.0980   -2.0840 C   0  0  0  0  0
   -7.0280    0.0550   -2.5520 O   0  0  0  0  0
   -4.8690    0.4650   -2.8580 O   0  0  0  0  0
   -1.6480   -0.3640    0.2580 N   0  0  0  0  0
   -0.3350   -0.5840    0.4710 C   0  0  0  0  0
    0.0180   -1.4710    1.2190 O   0  0  0  0  0
    0.6940    0.2730   -0.2210 C   0  0  0  0  0
    0.4970    1.7130    0.1760 C   0  0  0  0  0
    0.9870    2.1690    1.3860 C   0  0  0  0  0
    0.8080    3.4890    1.7510 C   0  0  0  0  0
    0.1350    4.3580    0.9040 C   0  0  0  0  0
   -0.0420    5.6570    1.2610 O   0  0  0  0  0
   -0.3550    3.8980   -0.3100 C   0  0  0  0  0
   -0.1690    2.5780   -0.6730 C   0  0  0  0  0
    2.0360   -0.1630    0.1730 N   0  0  0  0  0
    3.0860    0.0700   -0.6400 C   0  0  0  0  0
    2.9070    0.5590   -1.7380 O   0  0  0  0  0
    4.3330   -0.2400   -0.2350 N   0  0  0  0  0
    4.5360   -0.9360    1.0360 C   0  0  0  0  0
    5.6730   -1.9470    0.9180 C   0  0  0  0  0
    6.8690   -1.3120    0.3630 N   0  0  0  0  0
    8.1940   -1.6910    0.8600 C   0  0  0  0  0
    8.7370   -2.8540    0.0280 C   0  0  0  0  0
    6.7540   -0.3800   -0.6040 C   0  0  0  0  0
    7.7420    0.0680   -1.1480 O   0  0  0  0  0
    5.3900    0.0860   -1.0050 C   0  0  0  0  0
    5.2390    0.7560   -2.0050 O   0  0  0  0  0
   -3.5860   -3.1910    0.4730 H   0  0  0  0  0
   -2.2920   -1.4610    1.9260 H   0  0  0  0  0
   -3.7800    0.5300    1.5480 H   0  0  0  0  0
   -7.5470   -1.0260    2.1140 H   0  0  0  0  0
   -6.6540    0.5030    1.8980 H   0  0  0  0  0
   -8.2080   -2.3590    0.2340 H   0  0  0  0  0
   -7.4310   -2.1580   -1.3550 H   0  0  0  0  0
   -6.4830   -2.7510    0.0310 H   0  0  0  0  0
   -5.0630    0.6840   -3.7790 H   0  0  0  0  0
   -1.9300    0.3450   -0.3400 H   0  0  0  0  0
    0.5820    0.1750   -1.3000 H   0  0  0  0  0
    1.5110    1.4930    2.0450 H   0  0  0  0  0
    1.1910    3.8450    2.6970 H   0  0  0  0  0
    0.6710    6.2440    0.9750 H   0  0  0  0  0
   -0.8790    4.5710   -0.9710 H   0  0  0  0  0
   -0.5470    2.2200   -1.6190 H   0  0  0  0  0
    2.1690   -0.6190    1.0190 H   0  0  0  0  0
    4.7820   -0.2070    1.8090 H   0  0  0  0  0
    3.6190   -1.4570    1.3120 H   0  0  0  0  0
    5.9030   -2.3460    1.9060 H   0  0  0  0  0
    5.3630   -2.7620    0.2640 H   0  0  0  0  0
    8.8700   -0.8390    0.7780 H   0  0  0  0  0
    8.1180   -1.9950    1.9030 H   0  0  0  0  0
    8.0610   -3.7060    0.1100 H   0  0  0  0  0
    8.8130   -2.5500   -1.0160 H   0  0  0  0  0
    9.7230   -3.1360    0.3970 H   0  0  0  0  0
   -7.7330    0.0190   -0.2070 H   0  0  0  0  0
  1 38  1  0  0  0
  2  1  2  0  0  0
  3  1  1  0  0  0
  3  4  1  0  0  0
  3 39  1  0  0  0
  4  6  1  0  0  0
  4  5  1  0  0  0
  4 40  1  0  0  0
  7  8  1  0  0  0
  7  6  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8 10  1  0  0  0
  8 64  1  0  0  0
  9  8  1  0  0  0
  9 43  1  0  0  0
  9 44  1  0  0  0
  9 45  1  0  0  0
 10 11  1  0  0  0
 10  5  2  0  0  0
 11 13  1  0  0  0
 12 11  2  0  0  0
 13 46  1  0  0  0
 14  3  1  0  0  0
 14 47  1  0  0  0
 15 14  1  0  0  0
 15 16  2  0  0  0
 17 15  1  0  0  0
 17 48  1  0  0  0
 18 17  1  0  0  0
 18 24  2  0  0  0
 19 20  2  0  0  0
 19 18  1  0  0  0
 19 49  1  0  0  0
 20 21  1  0  0  0
 20 50  1  0  0  0
 21 22  1  0  0  0
 21 23  2  0  0  0
 22 51  1  0  0  0
 23 52  1  0  0  0
 24 23  1  0  0  0
 24 53  1  0  0  0
 25 17  1  0  0  0
 25 54  1  0  0  0
 26 25  1  0  0  0
 27 26  2  0  0  0
 28 26  1  0  0  0
 28 29  1  0  0  0
 29 55  1  0  0  0
 29 56  1  0  0  0
 30 29  1  0  0  0
 30 57  1  0  0  0
 30 58  1  0  0  0
 31 30  1  0  0  0
 32 31  1  0  0  0
 32 33  1  0  0  0
 32 59  1  0  0  0
 32 60  1  0  0  0
 33 61  1  0  0  0
 33 62  1  0  0  0
 33 63  1  0  0  0
 34 36  1  0  0  0
 34 31  1  0  0  0
 35 34  2  0  0  0
 36 28  1  0  0  0
 37 36  2  0  0  0
M  END
$$$$
