A1J4C
  CCTOOLS-0828261229

 58 63  0  0  1  0  0  0  0  0999 V2000
   -0.8320   -0.1000   -1.0220 RU  0  0  0  0  0
    1.2690    1.1030   -1.4250 RU  0  0  0  0  0
    0.6140    3.1060   -1.6690 O   0  5  0  0  0
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    2.6000    0.2560   -2.7550 O   0  5  0  0  0
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   -2.2180    1.0690   -2.3020 O   0  5  0  0  0
   -0.3190    0.3120   -3.0350 O   0  5  0  0  0
    1.1000   -0.2110    0.9600 N   0  5  0  0  0
   -1.2060   -0.6050    0.8250 N   0  0  0  0  0
    2.2290   -1.1070   -2.6980 C   0  0  0  0  0
   -0.0590   -0.6270    1.5130 C   0  0  0  0  0
   -0.3430    3.1990   -0.6370 C   0  0  0  0  0
    3.3850   -2.0050   -2.6170 C   0  0  0  0  0
    3.4320    0.2850    0.7190 C   0  0  0  0  0
   -2.9140   -1.2970    2.5080 C   0  0  0  0  0
   -4.2320   -1.6030    2.7950 C   0  0  0  0  0
    2.4100   -0.1960    1.5280 C   0  0  0  0  0
   -2.5380   -0.9340    1.2180 C   0  0  0  0  0
   -0.1340    4.3460    0.2520 C   0  0  0  0  0
   -3.5190   -0.9010    0.2360 C   0  0  0  0  0
    2.7390   -0.6140    2.8150 C   0  0  0  0  0
    4.0460   -0.5510    3.2620 C   0  0  0  0  0
   -5.2130   -1.5660    1.8230 C   0  0  0  0  0
   -6.6500   -1.9070    2.1480 C   0  0  0  0  0
   -4.8320   -1.2130    0.5430 C   0  0  0  0  0
    5.0660   -0.0780    2.4590 C   0  0  0  0  0
    4.7330    0.3390    1.1850 C   0  0  0  0  0
    6.4910   -0.0120    2.9600 C   0  0  0  0  0
    1.7410   -1.3280   -3.5100 H   0  0  0  0  0
   -0.0610   -0.9440    2.4010 H   0  0  0  0  0
   -1.2260    3.2780   -1.0390 H   0  0  0  0  0
    3.0780   -2.9250   -2.6010 H   0  0  0  0  0
    3.8850   -1.8140   -1.8060 H   0  0  0  0  0
    3.9550   -1.8660   -3.3910 H   0  0  0  0  0
    3.2370    0.5730   -0.1530 H   0  0  0  0  0
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    4.2470   -0.8410    4.1380 H   0  0  0  0  0
   -7.2470   -1.3970    1.5750 H   0  0  0  0  0
   -6.8390   -1.6900    3.0780 H   0  0  0  0  0
   -6.8000   -2.8560    2.0040 H   0  0  0  0  0
   -5.4830   -1.1810   -0.1390 H   0  0  0  0  0
    5.4120    0.6680    0.6170 H   0  0  0  0  0
    7.1080   -0.1220    2.2160 H   0  0  0  0  0
    6.6450   -0.7210    3.6090 H   0  0  0  0  0
    6.6480    0.8490    3.3830 H   0  0  0  0  0
   -1.4080    1.1040   -3.4480 C   0  0  0  0  0
   -2.0620    0.6180   -4.6670 C   0  0  0  0  0
   -2.3830   -0.2870   -4.5210 H   0  0  0  0  0
   -1.4230    0.6220   -5.3980 H   0  0  0  0  0
   -2.8100    1.1970   -4.8840 H   0  0  0  0  0
   -1.1020    2.0160   -3.5960 H   0  0  0  0  0
  1  2  1  0  0  0
  1  4  1  0  0  0
  1  6  1  0  0  0
  1  7  1  0  0  0
  1 10  1  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  2  8  1  0  0  0
  2  9  1  0  0  0
  3 13  1  0  0  0
  6 13  1  0  0  0
  7 53  1  0  0  0
  8 53  1  0  0  0
  9 12  1  0  0  0
  9 18  1  0  0  0
 10 12  2  0  0  0
 10 19  1  0  0  0
 11 14  1  0  0  0
 11  4  1  0  0  0
 11  5  1  0  0  0
 11 30  1  0  0  0
 12 31  1  0  0  0
 13 20  1  0  0  0
 13 32  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 18  1  0  0  0
 15 28  2  0  0  0
 15 36  1  0  0  0
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 16 19  2  0  0  0
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 17 24  2  0  0  0
 17 38  1  0  0  0
 18 22  2  0  0  0
 19 21  1  0  0  0
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 21 26  2  0  0  0
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 53 54  1  0  0  0
 53 58  1  0  0  0
 54 55  1  0  0  0
 54 56  1  0  0  0
 54 57  1  0  0  0
M  CHG  1   3  -1
M  CHG  1   4  -1
M  CHG  1   5  -1
M  CHG  1   6  -1
M  CHG  1   7  -1
M  CHG  1   8  -1
M  CHG  1   9  -1
M  END
$$$$
