A1C5A
  CCTOOLS-0828261229

 48 50  0  0  1  0  0  0  0  0999 V2000
    6.4470   -2.9210    2.6090 N   0  0  0  0  0
    5.1590   -0.8140   -2.2000 C   0  0  0  0  0
    4.3210    0.1350   -1.7910 C   0  0  0  0  0
    3.4230    0.9490    0.4380 C   0  0  0  0  0
    3.8720    2.4200    0.2930 C   0  0  0  0  0
    2.5540    3.2230    0.3620 C   0  0  0  0  0
    2.5670    4.1110    1.4810 O   0  0  0  0  0
    1.4640    2.1430    0.5410 C   0  0  0  0  0
    2.0470    0.9380   -0.0010 O   0  0  0  0  0
    0.2040    2.5230   -0.2390 C   0  0  0  0  0
   -0.8280    1.5730    0.0330 O   0  0  0  0  0
    6.1620   -2.4350    1.3540 C   0  0  0  0  0
    6.4700   -2.5270   -0.9340 C   0  0  0  0  0
    5.0380   -0.9360    0.0140 C   0  0  0  0  0
    6.7340   -2.9880    0.2890 N   0  0  0  0  0
    5.6170   -1.4940   -1.0860 N   0  0  0  0  0
    4.2370    0.0780   -0.4130 N   0  0  0  0  0
    5.3190   -1.4120    1.2180 N   0  0  0  0  0
    4.7390    2.7870    1.3670 O   0  0  0  0  0
    6.9970   -3.0360   -1.9090 O   0  0  0  0  0
   -3.2340    0.5130    0.0040 O   0  0  0  0  0
   -2.1880    1.4590   -2.2140 O   0  0  0  0  0
   -2.8850    2.9900   -0.3330 O   0  0  0  0  0
   -5.1110   -1.2680    0.4700 O   0  0  0  0  0
   -5.3740    0.4780   -1.3340 O   0  0  0  0  0
   -5.5230    1.2610    1.0610 O   0  0  0  0  0
   -6.8810   -2.1860   -1.0770 O   0  0  0  0  0
   -5.9010   -3.7710    0.6250 O   0  0  0  0  0
   -7.5290   -1.8330    1.3370 O   0  0  0  0  0
   -2.2970    1.6630   -0.6210 P   0  0  0  0  0
   -4.8230    0.2510    0.0210 P   0  0  0  0  0
   -6.3670   -2.2630    0.3080 P   0  0  0  0  0
    6.0350   -2.5200    3.3900 H   0  0  0  0  0
    7.0570   -3.6680    2.7130 H   0  0  0  0  0
    5.4310   -1.0200   -3.2240 H   0  0  0  0  0
    3.7960    0.8320   -2.4280 H   0  0  0  0  0
    3.4910    0.6330    1.4790 H   0  0  0  0  0
    4.3640    2.5760   -0.6670 H   0  0  0  0  0
    2.3960    3.7780   -0.5630 H   0  0  0  0  0
    3.2710    4.7740    1.4500 H   0  0  0  0  0
    1.2310    2.0110    1.5980 H   0  0  0  0  0
   -0.1260    3.5160    0.0660 H   0  0  0  0  0
    0.4240    2.5250   -1.3060 H   0  0  0  0  0
    5.0510    3.7010    1.3260 H   0  0  0  0  0
   -1.8100    0.6090   -2.4770 H   0  0  0  0  0
   -5.2090    1.1680    1.9710 H   0  0  0  0  0
   -6.6080   -4.4260    0.5470 H   0  0  0  0  0
   -7.2610   -1.8600    2.2660 H   0  0  0  0  0
  1 12  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  2  0  0  0
  2 35  1  0  0  0
  3 17  1  0  0  0
  3 36  1  0  0  0
  4  9  1  0  0  0
  4 37  1  0  0  0
  5  4  1  0  0  0
  5  6  1  0  0  0
  5 19  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  6 39  1  0  0  0
  7 40  1  0  0  0
  8 10  1  0  0  0
  8 41  1  0  0  0
  9  8  1  0  0  0
 10 11  1  0  0  0
 10 42  1  0  0  0
 10 43  1  0  0  0
 11 30  1  0  0  0
 12 18  1  0  0  0
 13 16  1  0  0  0
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 15 13  1  0  0  0
 15 12  2  0  0  0
 16  2  1  0  0  0
 16 14  1  0  0  0
 17  4  1  0  0  0
 18 14  2  0  0  0
 19 44  1  0  0  0
 20 13  2  0  0  0
 21 30  1  0  0  0
 21 31  1  0  0  0
 22 45  1  0  0  0
 23 30  2  0  0  0
 24 32  1  0  0  0
 25 31  2  0  0  0
 26 46  1  0  0  0
 27 32  2  0  0  0
 28 47  1  0  0  0
 29 48  1  0  0  0
 30 22  1  0  0  0
 31 24  1  0  0  0
 31 26  1  0  0  0
 32 29  1  0  0  0
 32 28  1  0  0  0
M  END
$$$$
