A1CNA
  CCTOOLS-0828261229

 44 46  0  0  1  0  0  0  0  0999 V2000
    4.8330   -2.2700   -1.2090 C   0  0  0  0  0
    1.9570    0.8810   -0.3360 C   0  0  0  0  0
    4.1990    0.9250   -0.3100 N   0  0  0  0  0
    3.9760   -2.4580    1.0770 N   0  0  0  0  0
    6.0690    1.7040    1.0260 C   0  0  0  0  0
    0.6350    1.2610   -0.4190 C   0  0  0  0  0
   -0.3500    0.3330   -0.2760 N   0  0  0  0  0
   -1.6800    0.7300   -0.2550 C   0  0  0  0  0
   -1.9990    2.0210   -0.4880 C   0  0  0  0  0
   -2.7510   -0.2750    0.0200 C   0  0  0  0  0
   -2.5040   -1.5510    0.2500 N   0  0  0  0  0
   -3.3250    2.4740   -0.4780 C   0  0  0  0  0
   -4.1430    0.2110    0.0280 C   0  0  0  0  0
   -4.3620    1.6540   -0.2370 C   0  0  0  0  0
   -5.1290   -0.6410    0.2670 N   0  0  0  0  0
    4.6190   -1.5460    0.1210 C   0  0  0  0  0
    3.1360    1.7450   -0.4660 C   0  0  0  0  0
    5.6070    1.3270   -0.3580 C   0  0  0  0  0
    5.6240   -3.5570   -0.9680 C   0  0  0  0  0
    3.7360   -0.3440   -0.0970 C   0  0  0  0  0
    2.4420   -0.3790   -0.1080 N   0  0  0  0  0
   -5.7400    2.1960   -0.2400 N   0  3  0  0  0
    3.5660   -2.5910   -1.7870 O   0  0  0  0  0
    3.1540    2.9470   -0.6700 O   0  0  0  0  0
    5.3000    1.6420    1.9570 O   0  0  0  0  0
   -5.9290    3.3790   -0.4610 O   0  5  0  0  0
   -6.6850    1.4600   -0.0220 O   0  0  0  0  0
   -4.2360   -2.3120    0.5250 SE  0  0  0  0  0
    5.3890   -1.6240   -1.8890 H   0  0  0  0  0
    3.0810   -2.7720    0.7320 H   0  0  0  0  0
    4.5760   -3.2400    1.2890 H   0  0  0  0  0
    0.3810    2.2950   -0.5990 H   0  0  0  0  0
   -1.2070    2.7280   -0.6890 H   0  0  0  0  0
   -3.5200    3.5180   -0.6710 H   0  0  0  0  0
    5.5810   -1.2230    0.5180 H   0  0  0  0  0
    6.2090    0.4980   -0.7290 H   0  0  0  0  0
    5.7170    2.1830   -1.0240 H   0  0  0  0  0
    5.7770   -4.0730   -1.9160 H   0  0  0  0  0
    6.5910   -3.3120   -0.5280 H   0  0  0  0  0
    5.0680   -4.2030   -0.2890 H   0  0  0  0  0
    3.0160   -3.1640   -1.2350 H   0  0  0  0  0
    7.3330    2.1080    1.2250 O   0  0  0  0  0
   -0.1230   -0.6060   -0.1880 H   0  0  0  0  0
    7.5830    2.3390    2.1300 H   0  0  0  0  0
  1 23  1  0  0  0
  1 16  1  0  0  0
  1 29  1  0  0  0
  2  6  2  0  0  0
  3 17  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5 18  1  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 43  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
  9 12  1  0  0  0
  9 33  1  0  0  0
 10 13  1  0  0  0
 11 28  1  0  0  0
 11 10  2  0  0  0
 12 14  2  0  0  0
 12 34  1  0  0  0
 13 15  2  0  0  0
 13 14  1  0  0  0
 14 22  1  0  0  0
 16 20  1  0  0  0
 16  4  1  0  0  0
 16 35  1  0  0  0
 17  2  1  0  0  0
 17 24  2  0  0  0
 18  3  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
 19  1  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 20  3  1  0  0  0
 20 21  2  0  0  0
 21  2  1  0  0  0
 22 26  1  0  0  0
 22 27  2  0  0  0
 23 41  1  0  0  0
 25  5  2  0  0  0
 28 15  1  0  0  0
 42 44  1  0  0  0
M  CHG  1  22   1
M  CHG  1  26  -1
M  END
$$$$
