A1E3R
  CCTOOLS-0515260948

 44 47  0  0  1  0  0  0  0  0999 V2000
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    1.6180    1.1680    1.0650 C   0  0  0  0  0
    1.6500    3.0200   -0.3440 C   0  0  0  0  0
    2.9740    2.2700   -0.6340 C   0  0  0  0  0
    2.9470    1.0220    0.3080 C   0  0  0  0  0
    4.1740    0.4680   -1.7170 C   0  0  0  0  0
   -2.9940   -0.0650    0.0950 C   0  0  0  0  0
   -1.7250   -0.6510    0.5990 C   0  0  0  0  0
   -4.1540   -1.9300   -0.8010 C   0  0  0  0  0
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   -1.7870    2.0070   -0.3440 C   0  0  0  0  0
   -4.2990    1.8130   -0.8480 C   0  0  0  0  0
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    0.8730   -0.1670    1.1740 C   0  0  0  0  0
    1.5590   -1.2380    0.3240 C   0  0  0  0  0
    1.3190   -3.5460   -0.2350 C   0  0  0  0  0
    0.7500    1.9720    0.1700 N   0  0  0  0  0
    2.8810    0.9080   -1.1770 N   0  0  0  0  0
    0.6990   -4.7400   -0.1560 N   0  0  0  0  0
   -1.7020   -1.8020    0.9910 O   0  0  0  0  0
    1.7950    1.7860    2.3410 O   0  0  0  0  0
   -4.1260   -0.8060    0.0800 O   0  0  0  0  0
   -1.8130    3.1570   -0.7370 O   0  0  0  0  0
    0.8410   -2.4930    0.4550 O   0  0  0  0  0
    2.3090   -3.4190   -0.9280 O   0  0  0  0  0
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    1.2480    3.4530   -1.2600 H   0  0  0  0  0
    3.8710    2.8650   -0.8050 H   0  0  0  0  0
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    4.0880    0.3210   -2.7940 H   0  0  0  0  0
   -3.9190   -1.6040   -1.8140 H   0  0  0  0  0
   -3.4170   -2.6650   -0.4760 H   0  0  0  0  0
   -5.1460   -2.3800   -0.7850 H   0  0  0  0  0
   -5.1150    1.1080   -0.6920 H   0  0  0  0  0
   -4.5050    2.7340   -0.3030 H   0  0  0  0  0
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    0.8060   -0.4880    2.2140 H   0  0  0  0  0
    1.5590   -0.9270   -0.7210 H   0  0  0  0  0
    2.5860   -1.3690    0.6650 H   0  0  0  0  0
   -0.0910   -4.8410    0.3970 H   0  0  0  0  0
    1.0440   -5.4990   -0.6540 H   0  0  0  0  0
    0.9760    1.8930    2.8430 H   0  0  0  0  0
  1 13  2  0  0  0
  1 17  1  0  0  0
  2 21  1  0  0  0
  2  5  1  0  0  0
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  3 27  1  0  0  0
  4 18  1  0  0  0
  4  5  1  0  0  0
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  7  8  1  0  0  0
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 10  7  2  0  0  0
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 19 16  1  0  0  0
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 21 44  1  0  0  0
 22  7  1  0  0  0
 23 11  2  0  0  0
 24 15  1  0  0  0
 25 16  2  0  0  0
M  END
$$$$
