A1ERT
  CCTOOLS-0501261012

 60 64  0  0  0  0  0  0  0  0999 V2000
    2.2020    3.0260    0.9790 C   0  0  0  0  0
    2.3900   -0.1820   -0.1060 C   0  0  0  0  0
    3.8590   -0.1680    0.0160 C   0  0  0  0  0
    4.4890   -0.9600    0.9810 C   0  0  0  0  0
    5.8620   -0.9450    1.0920 C   0  0  0  0  0
    6.6210   -0.1440    0.2460 C   0  0  0  0  0
    8.6920    0.7140   -0.5410 C   0  0  0  0  0
    5.9990    0.6450   -0.7140 C   0  0  0  0  0
    0.3140    1.0110   -0.3050 C   0  0  0  0  0
    1.7280    1.0070   -0.1860 C   0  0  0  0  0
    4.6270    0.6310   -0.8360 C   0  0  0  0  0
   -0.3670   -0.2940   -0.3350 C   0  0  0  0  0
    0.4120   -1.4620   -0.2500 C   0  0  0  0  0
   -0.2040   -2.7070   -0.2740 C   0  0  0  0  0
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   -3.4900   -4.0830    0.2000 C   0  0  0  0  0
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   -4.1410   -5.4170   -0.1720 C   0  0  0  0  0
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   -3.8280   -1.7780   -0.5860 C   0  0  0  0  0
   -2.3620   -1.6330   -0.4690 C   0  0  0  0  0
   -1.7600   -0.3790   -0.4500 C   0  0  0  0  0
   -2.9710    1.3120    0.6970 C   0  0  0  0  0
   -3.7850    2.5480    0.4090 C   0  0  0  0  0
   -5.1550    2.4650    0.2110 C   0  0  0  0  0
   -5.8690    3.6190   -0.0500 C   0  0  0  0  0
   -3.9620    4.9050    0.0750 C   0  0  0  0  0
   -3.1830    3.7950    0.3400 C   0  0  0  0  0
   -5.2620    4.7880   -0.1130 N   0  0  0  0  0
   -0.3130    2.0560   -0.3790 O   0  0  0  0  0
    7.9740   -0.1320    0.3590 O   0  0  0  0  0
    1.7540   -1.3650   -0.1410 O   0  0  0  0  0
   -2.2000   -4.0040   -0.4070 O   0  0  0  0  0
   -2.5130    0.7470   -0.5330 O   0  0  0  0  0
    2.4170    2.1800   -0.1520 O   0  0  0  0  0
    2.3890    2.4630    1.8940 H   0  0  0  0  0
    2.8820    3.8770    0.9310 H   0  0  0  0  0
    1.1720    3.3830    0.9760 H   0  0  0  0  0
    3.9010   -1.5820    1.6380 H   0  0  0  0  0
    6.3500   -1.5560    1.8370 H   0  0  0  0  0
    8.3770    1.7470   -0.3980 H   0  0  0  0  0
    9.7610    0.6290   -0.3440 H   0  0  0  0  0
    8.4870    0.4100   -1.5670 H   0  0  0  0  0
    6.5920    1.2660   -1.3680 H   0  0  0  0  0
    4.1440    1.2450   -1.5820 H   0  0  0  0  0
    0.3920   -3.6050   -0.2090 H   0  0  0  0  0
   -2.7110   -4.8250    2.0670 H   0  0  0  0  0
   -2.8750   -3.0540    1.9890 H   0  0  0  0  0
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   -6.9360    3.5630   -0.2050 H   0  0  0  0  0
   -3.5010    5.8800    0.0200 H   0  0  0  0  0
   -2.1190    3.8970    0.4930 H   0  0  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
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 31  7  1  0  0  0
 33 16  1  0  0  0
 34 23  1  0  0  0
 35  1  1  0  0  0
M  END
$$$$
