ARK
  CCTOOLS-0410261002

 80 81  0  0  1  0  0  0  0  0999 V2000
   11.5830    2.4780   -2.3270 O   0  0  0  0  0
   10.4650    3.0430   -1.8450 C   0  0  0  0  0
   10.1210    4.1330   -2.2360 O   0  0  0  0  0
    9.6380    2.3160   -0.8160 C   0  0  0  0  0
    8.4270    3.1720   -0.4380 C   0  0  0  0  0
    7.5870    2.4340    0.6070 C   0  0  0  0  0
    6.4640    3.3260    1.0690 C   0  0  0  0  0
    6.7380    4.5060    1.6480 O   0  0  0  0  0
    5.3160    2.9790    0.9190 O   0  0  0  0  0
    7.0300    1.2150    0.0140 N   0  0  0  0  0
    6.7000    0.1730    0.8020 C   0  0  0  0  0
    6.8640    0.2440    2.0050 O   0  0  0  0  0
    6.1880   -0.9480    0.2570 N   0  0  0  0  0
    5.8290   -2.0810    1.1140 C   0  0  0  0  0
    7.0490   -2.9310    1.3600 C   0  0  0  0  0
    6.9570   -4.0310    2.1240 O   0  0  0  0  0
    8.1090   -2.6220    0.8710 O   0  0  0  0  0
    4.7530   -2.9210    0.4230 C   0  0  0  0  0
    3.4720   -2.0960    0.2850 C   0  0  0  0  0
    2.3960   -2.9370   -0.4060 C   0  0  0  0  0
    1.1150   -2.1120   -0.5440 C   0  0  0  0  0
    0.0850   -2.9170   -1.2060 N   0  0  0  0  0
   -1.1540   -3.1700   -0.7240 C   0  0  0  0  0
    0.2010   -3.5000   -2.3470 N   0  0  0  0  0
   -0.8860   -4.1240   -2.6390 N   0  0  0  0  0
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   -3.1670   -4.4970   -1.5770 C   0  0  0  0  0
   -3.7840   -4.0770   -0.3580 O   0  0  0  0  0
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   -5.6800   -4.0400    1.1400 C   0  0  0  0  0
   -5.7830   -2.6150    1.0990 O   0  0  0  0  0
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   -6.3640   -0.5150    2.1450 C   0  0  0  0  0
   -7.3360   -0.1730    1.1030 N   0  0  0  0  0
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   -8.2900    5.2340   -0.2020 N   0  3  0  0  0
   -7.7680    6.1200    0.4520 O   0  5  0  0  0
   -9.0160    5.5160   -1.1380 O   0  0  0  0  0
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   -8.4060   -0.6070   -1.3330 O   0  5  0  0  0
  -10.1600    0.5510   -1.5090 O   0  0  0  0  0
   12.0810    2.9830   -2.9850 H   0  0  0  0  0
    9.2970    1.3660   -1.2280 H   0  0  0  0  0
   10.2430    2.1310    0.0720 H   0  0  0  0  0
    8.7670    4.1220   -0.0260 H   0  0  0  0  0
    7.8220    3.3570   -1.3260 H   0  0  0  0  0
    8.2150    2.1700    1.4580 H   0  0  0  0  0
    6.9000    1.1580   -0.9450 H   0  0  0  0  0
    5.9840    5.0430    1.9280 H   0  0  0  0  0
    6.0580   -1.0050   -0.7020 H   0  0  0  0  0
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    4.5490   -3.8120    1.0180 H   0  0  0  0  0
    7.7660   -4.5440    2.2530 H   0  0  0  0  0
    3.1220   -1.8000    1.2740 H   0  0  0  0  0
    3.6750   -1.2060   -0.3110 H   0  0  0  0  0
    2.7460   -3.2330   -1.3950 H   0  0  0  0  0
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    1.3190   -1.2220   -1.1400 H   0  0  0  0  0
   -1.5700   -2.8230    0.2110 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 47  1  0  0  0
  2  3  2  0  0  0
  2  4  1  0  0  0
  4  5  1  0  0  0
  4 48  1  0  0  0
  4 49  1  0  0  0
  5  6  1  0  0  0
  5 50  1  0  0  0
  5 51  1  0  0  0
  6  7  1  0  0  0
  6 10  1  0  0  0
  6 52  1  0  0  0
  7  8  1  0  0  0
  7  9  2  0  0  0
  8 54  1  0  0  0
 10 11  1  0  0  0
 10 53  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 14  1  0  0  0
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 14 15  1  0  0  0
 14 18  1  0  0  0
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 15 16  1  0  0  0
 15 17  2  0  0  0
 16 59  1  0  0  0
 18 19  1  0  0  0
 18 57  1  0  0  0
 18 58  1  0  0  0
 19 20  1  0  0  0
 19 60  1  0  0  0
 19 61  1  0  0  0
 20 21  1  0  0  0
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 20 63  1  0  0  0
 21 22  1  0  0  0
 21 64  1  0  0  0
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 22 23  1  0  0  0
 22 24  1  0  0  0
 23 26  2  0  0  0
 23 66  1  0  0  0
 24 25  2  0  0  0
 25 26  1  0  0  0
 26 27  1  0  0  0
 27 28  1  0  0  0
 27 67  1  0  0  0
 27 68  1  0  0  0
 28 29  1  0  0  0
 29 30  1  0  0  0
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 29 70  1  0  0  0
 30 31  1  0  0  0
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 31 32  1  0  0  0
 32 33  1  0  0  0
 32 73  1  0  0  0
 32 74  1  0  0  0
 33 34  1  0  0  0
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 34 35  1  0  0  0
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 35 36  1  0  0  0
 35 43  2  0  0  0
 36 37  2  0  0  0
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 42 43  1  0  0  0
 42 80  1  0  0  0
 43 44  1  0  0  0
 44 45  1  0  0  0
 44 46  2  0  0  0
M  CHG  1  39   1
M  CHG  1  40  -1
M  CHG  1  44   1
M  CHG  1  45  -1
M  END
$$$$
