IUG
  CCTOOLS-0410261002

 75 78  0  0  1  0  0  0  0  0999 V2000
    3.4660   -3.1840    0.2460 C   0  0  0  0  0
    2.0900   -2.8220    0.1090 O   0  0  0  0  0
    3.6300   -4.1150    1.4500 C   0  0  0  0  0
    2.8010   -5.2660    1.2810 O   0  0  0  0  0
    3.2170   -3.3690    2.7230 C   0  0  0  0  0
    3.4370   -4.2050    3.8600 O   0  0  0  0  0
    4.0610   -2.0960    2.8520 C   0  0  0  0  0
    5.4380   -2.4490    2.9970 O   0  0  0  0  0
    3.8790   -1.2440    1.5930 C   0  0  0  0  0
    4.2520   -2.0070    0.4440 O   0  0  0  0  0
    4.7650    0.0000    1.6880 C   0  0  0  0  0
    4.5100    0.8530    0.5700 O   0  0  0  0  0
   -6.3070   -0.0470    0.5220 C   0  0  0  0  0
   -6.9950    0.2560   -0.8330 C   0  0  0  0  0
   -8.4070    0.0560   -0.7440 O   0  0  0  0  0
   -6.3460   -0.7940   -1.7680 C   0  0  0  0  0
   -7.2000   -1.9310   -1.9120 O   0  0  0  0  0
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   -4.9560   -0.3890    0.1450 O   0  0  0  0  0
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   -6.3190    4.3540    3.6510 O   0  0  0  0  0
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    6.8600    3.9160    1.0700 O   0  0  0  0  0
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    2.1780   -1.4140   -1.9840 O   0  0  0  0  0
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    1.4080   -3.8050   -2.2320 O   0  0  0  0  0
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    3.9900    2.4110   -1.5460 C   0  0  0  0  0
    5.2430    4.8350   -1.9870 C   0  0  0  0  0
   -7.0110    2.1930    3.3680 C   0  0  0  0  0
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    5.2900    2.0500    0.5620 C   0  0  0  0  0
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   -0.1050   -1.9920   -1.0760 O   0  0  0  0  0
    4.9400    2.8690   -0.6540 C   0  0  0  0  0
    5.5630    4.0840   -0.8720 C   0  0  0  0  0
   -6.3210    3.3570    2.9510 C   0  0  0  0  0
   -5.6700    2.2490    1.0000 C   0  0  0  0  0
   -6.3220    1.1370    1.3840 N   0  0  0  0  0
    6.5770    4.5780    0.0870 N   0  3  0  0  0
   -1.1910   -1.2400   -1.9960 P   0  0  0  0  0
    1.4100   -2.4840   -1.3110 P   0  0  0  0  0
    3.7980   -3.6960   -0.6570 H   0  0  0  0  0
    4.6720   -4.4260    1.5310 H   0  0  0  0  0
    3.0040   -5.7850    0.4910 H   0  0  0  0  0
    2.1620   -3.1040    2.6640 H   0  0  0  0  0
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    3.7360   -1.5310    3.7250 H   0  0  0  0  0
    5.6250   -2.9940    3.7730 H   0  0  0  0  0
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    4.5420    0.5350    2.6110 H   0  0  0  0  0
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    0.9220   -4.5490   -1.8520 H   0  0  0  0  0
    2.9260    2.8040   -3.3590 H   0  0  0  0  0
    4.0470    4.9600   -3.7540 H   0  0  0  0  0
    3.4970    1.4660   -1.3720 H   0  0  0  0  0
    5.7340    5.7810   -2.1600 H   0  0  0  0  0
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    6.3480    1.7940    0.5350 H   0  0  0  0  0
   -5.1920    4.1450    1.4800 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1 47  1  0  0  0
  3  4  1  0  0  0
  3 48  1  0  0  0
  4 49  1  0  0  0
  5  3  1  0  0  0
  5  6  1  0  0  0
  5 50  1  0  0  0
  6 51  1  0  0  0
  7  5  1  0  0  0
  7 52  1  0  0  0
  8  7  1  0  0  0
  8 53  1  0  0  0
  9  7  1  0  0  0
  9 10  1  0  0  0
  9 54  1  0  0  0
 10  1  1  0  0  0
 11  9  1  0  0  0
 11 55  1  0  0  0
 11 56  1  0  0  0
 12 11  1  0  0  0
 13 57  1  0  0  0
 14 13  1  0  0  0
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 15 59  1  0  0  0
 16 14  1  0  0  0
 16 18  1  0  0  0
 16 60  1  0  0  0
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 18 19  1  0  0  0
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 20 63  1  0  0  0
 20 64  1  0  0  0
 21 20  1  0  0  0
 22 41  2  0  0  0
 25 45  2  0  0  0
 26 46  2  0  0  0
 27 44  1  0  0  0
 28 45  1  0  0  0
 28 65  1  0  0  0
 29 46  1  0  0  0
 29 66  1  0  0  0
 30 32  1  0  0  0
 30 67  1  0  0  0
 31 30  2  0  0  0
 31 33  1  0  0  0
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 36 12  1  0  0  0
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 42 23  2  0  0  0
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 43 42  1  0  0  0
 44 24  2  0  0  0
 45 21  1  0  0  0
 46  2  1  0  0  0
 46 38  1  0  0  0
M  CHG  1  27  -1
M  CHG  1  44   1
M  END
$$$$
