4J7
  CCTOOLS-0919241031

 68 72  0  0  0  0  0  0  0  0999 V2000
   -0.9810    0.1650   -0.4810 C   0  0  0  0  0
    0.3120   -0.2800   -0.6730 C   0  0  0  0  0
   -3.3990    1.3930    0.5200 O   0  0  0  0  0
   -1.8770   -0.5990    0.2440 C   0  0  0  0  0
   -8.4030    0.9860   -0.8830 C   0  0  0  0  0
   -8.1270   -0.2510   -0.3330 C   0  0  0  0  0
   -7.3920    1.7220   -1.4730 C   0  0  0  0  0
   -6.1030    1.2230   -1.5090 C   0  0  0  0  0
    5.9580    3.1830    1.3200 C   0  0  0  0  0
    5.5050    2.8070    0.0170 O   0  0  0  0  0
    4.7690    1.6650   -0.0760 C   0  0  0  0  0
    5.3900    0.4230   -0.1960 C   0  0  0  0  0
    6.7770    0.3280   -0.2220 N   0  0  0  0  0
    7.3890   -0.9240   -0.2380 C   0  0  0  0  0
    8.7210   -1.1680   -0.1340 N   0  0  0  0  0
    8.9080   -2.5540   -0.1940 N   0  0  0  0  0
    7.7390   -3.1240   -0.3300 C   0  0  0  0  0
    7.4880   -4.6060   -0.4350 C   0  0  0  0  0
    6.7610   -2.1260   -0.3560 C   0  0  0  0  0
    4.6370   -0.6720   -0.2830 N   0  0  0  0  0
    3.3150   -0.5900   -0.2590 C   0  0  0  0  0
    2.3630   -2.0670   -0.3790 S   0  0  0  0  0
    0.7140   -1.4970   -0.1370 C   0  0  0  0  0
   -0.1900   -2.2630    0.5930 C   0  0  0  0  0
    0.1960   -3.4470    1.1170 F   0  0  0  0  0
   -1.4840   -1.8140    0.7760 C   0  0  0  0  0
   -3.5240   -0.0220    0.4930 S   0  0  0  0  0
   -3.9780   -0.7400    1.6320 O   0  0  0  0  0
   -4.4180   -0.5540   -0.9930 C   0  0  0  0  0
   -5.8240   -0.0110   -0.9550 C   0  0  0  0  0
   -9.2100   -1.0410    0.2940 N   0  3  0  0  0
  -10.3450   -0.6010    0.3240 O   0  5  0  0  0
   -8.9670   -2.1320    0.7790 O   0  0  0  0  0
   -6.8360   -0.7510   -0.3680 C   0  0  0  0  0
   -6.5650   -1.9610    0.1690 F   0  0  0  0  0
    2.6900    0.5720   -0.1460 N   0  0  0  0  0
    3.3750    1.7090   -0.0480 C   0  0  0  0  0
    2.7120    2.9230    0.0760 N   0  0  0  0  0
    1.9430    2.9780    1.3280 C   0  0  0  0  0
    1.2780    4.3520    1.4520 C   0  0  0  0  0
    0.4580    4.5840    0.3030 O   0  0  0  0  0
    1.1750    4.5380   -0.9340 C   0  0  0  0  0
    1.8390    3.1660   -1.0820 C   0  0  0  0  0
   -1.2920    1.1130   -0.8950 H   0  0  0  0  0
    1.0110    0.3170   -1.2400 H   0  0  0  0  0
   -9.4100    1.3770   -0.8560 H   0  0  0  0  0
   -7.6100    2.6870   -1.9070 H   0  0  0  0  0
   -5.3150    1.7980   -1.9710 H   0  0  0  0  0
    6.4550    4.1520    1.2660 H   0  0  0  0  0
    5.1060    3.2480    1.9960 H   0  0  0  0  0
    6.6600    2.4350    1.6900 H   0  0  0  0  0
    7.3180    1.1330   -0.2300 H   0  0  0  0  0
    9.4180   -0.5000   -0.0350 H   0  0  0  0  0
    7.2490   -5.0050    0.5500 H   0  0  0  0  0
    6.6520   -4.7860   -1.1120 H   0  0  0  0  0
    8.3800   -5.1000   -0.8200 H   0  0  0  0  0
    5.6960   -2.2810   -0.4540 H   0  0  0  0  0
   -2.1870   -2.4070    1.3420 H   0  0  0  0  0
   -3.9080   -0.1770   -1.8790 H   0  0  0  0  0
   -4.4500   -1.6430   -1.0280 H   0  0  0  0  0
    1.1780    2.2030    1.3200 H   0  0  0  0  0
    2.6130    2.8200    2.1730 H   0  0  0  0  0
    0.6610    4.3780    2.3500 H   0  0  0  0  0
    2.0450    5.1230    1.5140 H   0  0  0  0  0
    0.4830    4.6980   -1.7620 H   0  0  0  0  0
    1.9390    5.3150   -0.9420 H   0  0  0  0  0
    2.4330    3.1460   -1.9960 H   0  0  0  0  0
    1.0720    2.3930   -1.1290 H   0  0  0  0  0
  1  4  1  0  0  0
  1 44  1  0  0  0
  2  1  2  0  0  0
  2 23  1  0  0  0
  2 45  1  0  0  0
  3 27  2  0  0  0
  4 27  1  0  0  0
  4 26  2  0  0  0
  5 46  1  0  0  0
  6  5  1  0  0  0
  6 31  1  0  0  0
  7  5  2  0  0  0
  7 47  1  0  0  0
  8  7  1  0  0  0
  8 48  1  0  0  0
  9 10  1  0  0  0
  9 49  1  0  0  0
  9 50  1  0  0  0
  9 51  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 37  1  0  0  0
 12 20  1  0  0  0
 13 14  1  0  0  0
 13 12  1  0  0  0
 13 52  1  0  0  0
 14 19  2  0  0  0
 15 16  1  0  0  0
 15 14  1  0  0  0
 15 53  1  0  0  0
 16 17  2  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 18 54  1  0  0  0
 18 55  1  0  0  0
 18 56  1  0  0  0
 19 57  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 24 26  1  0  0  0
 24 25  1  0  0  0
 26 58  1  0  0  0
 27 28  2  0  0  0
 27 29  1  0  0  0
 29 30  1  0  0  0
 29 59  1  0  0  0
 29 60  1  0  0  0
 30  8  2  0  0  0
 30 34  1  0  0  0
 31 32  1  0  0  0
 31 33  2  0  0  0
 34  6  2  0  0  0
 35 34  1  0  0  0
 36 21  1  0  0  0
 37 36  2  0  0  0
 38 37  1  0  0  0
 38 39  1  0  0  0
 39 61  1  0  0  0
 39 62  1  0  0  0
 40 39  1  0  0  0
 40 63  1  0  0  0
 40 64  1  0  0  0
 41 40  1  0  0  0
 42 43  1  0  0  0
 42 41  1  0  0  0
 42 65  1  0  0  0
 42 66  1  0  0  0
 43 38  1  0  0  0
 43 67  1  0  0  0
 43 68  1  0  0  0
M  CHG  1  31   1
M  CHG  1  32  -1
M  END
$$$$
