A1JTI
  CCTOOLS-0612260951

 51 55  0  0  1  0  0  0  0  0999 V2000
    2.5110    4.5300   -1.1360 C   0  0  0  0  0
    1.8750    4.0840   -0.2560 C   0  0  0  0  0
    1.0770    3.5230    0.8470 C   0  0  0  0  0
    1.0410    1.0550    0.5460 C   0  0  0  0  0
    2.7260   -0.7260    0.1260 C   0  0  0  0  0
    3.8320   -0.2060   -0.5050 C   0  0  0  0  0
    4.5710   -0.9930   -1.3710 C   0  0  0  0  0
    4.2000   -2.3070   -1.6070 C   0  0  0  0  0
    3.0890   -2.8390   -0.9790 C   0  0  0  0  0
    2.3400   -2.0500   -0.1050 C   0  0  0  0  0
    1.1300   -2.3270    0.6950 C   0  0  0  0  0
   -0.3760   -1.1280    2.2950 C   0  0  0  0  0
   -1.6120   -0.8000    1.4980 C   0  0  0  0  0
   -3.4430   -1.0750    0.2290 C   0  0  0  0  0
   -4.5140   -1.5160   -0.5470 C   0  0  0  0  0
   -5.4030   -0.5780   -1.0360 C   0  0  0  0  0
   -5.2080    0.7740   -0.7430 C   0  0  0  0  0
    4.9250   -3.0710   -2.4520 F   0  0  0  0  0
    0.5410   -3.3900    0.7190 O   0  0  0  0  0
    0.7740   -1.2320    1.3930 N   0  0  0  0  0
    1.7270   -0.1670    1.0990 C   0  0  0  0  0
    2.4250    0.3160    2.3830 C   0  0  0  0  0
    2.5900    1.8270    2.0990 C   0  0  0  0  0
    0.1720    1.0430   -0.2990 O   0  0  0  0  0
    1.5330    2.1610    1.1360 N   0  0  0  0  0
    3.3080    5.0910   -2.2390 C   0  0  0  0  0
   -2.3990   -1.7160    0.8580 N   0  0  0  0  0
   -6.4530   -0.9650   -1.7920 F   0  0  0  0  0
   -6.1030    1.7180   -1.2380 N   0  0  0  0  0
   -4.1870    1.1710   -0.0060 N   0  0  0  0  0
   -3.3080    0.3000    0.4880 C   0  0  0  0  0
   -2.1080    0.4350    1.3160 C   0  0  0  0  0
    1.2000    4.1430    1.7350 H   0  0  0  0  0
    0.0260    3.5020    0.5610 H   0  0  0  0  0
    4.1250    0.8180   -0.3240 H   0  0  0  0  0
    5.4390   -0.5820   -1.8650 H   0  0  0  0  0
    2.8010   -3.8630   -1.1660 H   0  0  0  0  0
   -0.1940   -0.3390    3.0250 H   0  0  0  0  0
   -0.5180   -2.0760    2.8130 H   0  0  0  0  0
   -4.6460   -2.5670   -0.7620 H   0  0  0  0  0
    1.7970    0.1490    3.2590 H   0  0  0  0  0
    3.3950   -0.1670    2.5030 H   0  0  0  0  0
    2.4550    2.4000    3.0160 H   0  0  0  0  0
    3.5720    2.0250    1.6700 H   0  0  0  0  0
    3.1860    4.4710   -3.1280 H   0  0  0  0  0
    2.9700    6.1040   -2.4540 H   0  0  0  0  0
    4.3600    5.1120   -1.9530 H   0  0  0  0  0
   -2.2450   -2.6740    0.8480 H   0  0  0  0  0
   -5.9740    2.6590   -1.0410 H   0  0  0  0  0
   -6.8560    1.4350   -1.7800 H   0  0  0  0  0
   -1.6990    1.3550    1.7070 H   0  0  0  0  0
  1  2  3  0  0  0
  2  3  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4 24  2  0  0  0
  5 21  1  0  0  0
  6  5  2  0  0  0
  6 35  1  0  0  0
  7  6  1  0  0  0
  7 36  1  0  0  0
  8  7  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 37  1  0  0  0
 10  5  1  0  0  0
 10 11  1  0  0  0
 11 19  2  0  0  0
 11 20  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 12  1  0  0  0
 14 27  1  0  0  0
 15 14  1  0  0  0
 15 40  1  0  0  0
 16 15  2  0  0  0
 17 30  2  0  0  0
 17 16  1  0  0  0
 18  8  1  0  0  0
 20 12  1  0  0  0
 21 20  1  0  0  0
 21  4  1  0  0  0
 22 23  1  0  0  0
 22 21  1  0  0  0
 22 41  1  0  0  0
 22 42  1  0  0  0
 23 25  1  0  0  0
 23 43  1  0  0  0
 23 44  1  0  0  0
 25  4  1  0  0  0
 25  3  1  0  0  0
 26  1  1  0  0  0
 26 45  1  0  0  0
 26 46  1  0  0  0
 26 47  1  0  0  0
 27 13  1  0  0  0
 27 48  1  0  0  0
 28 16  1  0  0  0
 29 17  1  0  0  0
 29 49  1  0  0  0
 29 50  1  0  0  0
 30 31  1  0  0  0
 31 14  2  0  0  0
 31 32  1  0  0  0
 32 13  2  0  0  0
 32 51  1  0  0  0
M  END
$$$$
