4GK
  CCTOOLS-0919241031

 46 50  0  0  0  0  0  0  0  0999 V2000
    1.2510    2.9640   -0.3040 C   0  0  0  0  0
    1.8510    1.6280   -0.3020 N   0  0  0  0  0
    3.1880    1.3310   -0.1310 C   0  0  0  0  0
    4.3310    2.1070    0.0790 C   0  0  0  0  0
    5.5570    1.5440    0.2170 C   0  0  0  0  0
    5.7260    0.1460    0.1550 C   0  0  0  0  0
    6.9350   -0.4060    0.2910 N   0  0  0  0  0
    7.1020   -1.7070    0.2340 C   0  0  0  0  0
    6.0340   -2.5730    0.0300 C   0  0  0  0  0
    4.7680   -2.0700   -0.1180 C   0  0  0  0  0
    4.5970   -0.6820   -0.0560 C   0  0  0  0  0
    3.2830   -0.0630   -0.2040 C   0  0  0  0  0
    2.0420   -0.5400   -0.4090 N   0  0  0  0  0
    1.1950    0.4490   -0.4630 C   0  0  0  0  0
   -0.2900    0.3070   -0.6790 C   0  0  0  0  0
   -0.9920    0.1650    0.6730 C   0  0  0  0  0
   -2.4760    0.0230    0.4560 C   0  0  0  0  0
   -3.1170   -1.1240    0.2910 N   0  0  0  0  0
   -3.3330    1.0190    0.4070 N   0  0  0  0  0
   -4.5970    0.4610    0.1910 N   0  0  0  0  0
   -5.8510    0.9700    0.0500 C   0  0  0  0  0
   -6.0760    2.4590    0.1200 C   0  0  0  0  0
   -4.4120   -0.8940    0.1250 C   0  0  0  0  0
   -5.5290   -1.7220   -0.0900 C   0  0  0  0  0
   -5.3590   -3.2170   -0.1670 C   0  0  0  0  0
   -6.7200   -1.1860   -0.2210 N   0  0  0  0  0
   -6.8950    0.1340   -0.1530 C   0  0  0  0  0
    1.2460    3.3590   -1.3200 H   0  0  0  0  0
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    1.8330    3.6250    0.3390 H   0  0  0  0  0
    4.2360    3.1810    0.1320 H   0  0  0  0  0
    6.4170    2.1770    0.3780 H   0  0  0  0  0
    8.0950   -2.1150    0.3490 H   0  0  0  0  0
    6.2010   -3.6390   -0.0130 H   0  0  0  0  0
    3.9260   -2.7270   -0.2770 H   0  0  0  0  0
   -0.6680    1.1910   -1.1940 H   0  0  0  0  0
   -0.4860   -0.5770   -1.2850 H   0  0  0  0  0
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   -0.7960    1.0500    1.2790 H   0  0  0  0  0
   -5.9870    2.8860   -0.8780 H   0  0  0  0  0
   -7.0720    2.6580    0.5140 H   0  0  0  0  0
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   -6.1220   -3.6360   -0.8240 H   0  0  0  0  0
   -4.3710   -3.4510   -0.5640 H   0  0  0  0  0
   -7.8890    0.5440   -0.2650 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 31  1  0  0  0
  5 32  1  0  0  0
  6  5  1  0  0  0
  6  7  2  0  0  0
  8  7  1  0  0  0
  8 33  1  0  0  0
  9  8  2  0  0  0
  9 34  1  0  0  0
 10 11  2  0  0  0
 10  9  1  0  0  0
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 11  6  1  0  0  0
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 27 21  2  0  0  0
 27 46  1  0  0  0
M  END
$$$$
