OI1
  CCTOOLS-0919241027

 75 79  0  0  1  0  0  0  0  0999 V2000
    0.2100    6.1380    0.7810 O   0  0  0  0  0
    0.2910    4.7820    0.8380 C   0  0  0  0  0
   -0.8110    4.0050    0.5130 C   0  0  0  0  0
   -0.7250    2.6280    0.5720 C   0  0  0  0  0
    0.4580    2.0230    0.9550 C   0  0  0  0  0
    1.5560    2.7960    1.2850 C   0  0  0  0  0
    1.4770    4.1730    1.2220 C   0  0  0  0  0
    0.5480    0.5200    1.0190 C   0  0  0  0  0
    0.8490   -0.0320   -0.3760 C   0  0  0  0  0
    2.1080    0.5920   -0.8840 C   0  0  0  0  0
    2.1150    1.7910   -1.0640 O   0  0  0  0  0
    3.2080   -0.0910   -1.2060 N   0  0  0  0  0
    3.3460   -1.5340   -1.0110 C   0  0  0  0  0
    2.0740   -2.1590   -0.5340 C   0  0  0  0  0
    2.0490   -3.3640   -0.3990 O   0  5  0  0  0
    0.9640   -1.4750   -0.2500 N   0  3  0  0  0
   -0.2080   -2.2230    0.2120 C   0  0  0  0  0
   -1.4590   -1.5790   -0.3280 C   0  0  0  0  0
   -1.4040   -0.8870   -1.3220 O   0  0  0  0  0
   -2.6390   -1.7730    0.2940 N   0  0  0  0  0
   -3.8550   -1.1480   -0.2310 C   0  0  0  0  0
   -5.0450   -1.5250    0.6530 C   0  0  0  0  0
   -6.2960   -0.8810    0.1130 C   0  0  0  0  0
   -7.0710   -1.5510   -0.8160 C   0  0  0  0  0
   -8.2180   -0.9630   -1.3130 C   0  0  0  0  0
   -8.5930    0.3000   -0.8780 C   0  0  0  0  0
   -9.7210    0.8800   -1.3660 O   0  0  0  0  0
   -7.8140    0.9690    0.0550 C   0  0  0  0  0
   -6.6710    0.3750    0.5520 C   0  0  0  0  0
   -0.2490   -2.2140    1.7410 C   0  0  0  0  0
    0.9520   -2.9870    2.2890 C   0  0  0  0  0
    0.9470   -2.9230    3.8170 C   0  0  0  0  0
    4.4520   -1.7500    0.0240 C   0  0  0  0  0
    5.6680   -0.9290   -0.3180 C   0  0  0  0  0
    6.8790   -1.3050    0.2500 C   0  0  0  0  0
    8.0290   -0.5900   -0.0130 C   0  0  0  0  0
    7.9780    0.5100   -0.8490 C   0  0  0  0  0
    6.7780    0.8830   -1.4170 C   0  0  0  0  0
    5.6200    0.1620   -1.1560 C   0  0  0  0  0
    4.3470    0.6080   -1.8280 C   0  0  0  0  0
   -0.0820    6.4370    1.6520 H   0  0  0  0  0
   -1.7350    4.4770    0.2130 H   0  0  0  0  0
   -1.5830    2.0230    0.3190 H   0  0  0  0  0
    2.4790    2.3210    1.5850 H   0  0  0  0  0
    2.3370    4.7760    1.4760 H   0  0  0  0  0
   -0.3990    0.1140    1.3740 H   0  0  0  0  0
    1.3460    0.2330    1.7030 H   0  0  0  0  0
    0.0290    0.2300   -1.0450 H   0  0  0  0  0
    3.6410   -1.9970   -1.9530 H   0  0  0  0  0
   -0.1460   -3.2510   -0.1430 H   0  0  0  0  0
   -2.6830   -2.3270    1.0890 H   0  0  0  0  0
   -3.7340   -0.0640   -0.2350 H   0  0  0  0  0
   -4.0330   -1.4970   -1.2480 H   0  0  0  0  0
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   -4.8670   -1.1760    1.6700 H   0  0  0  0  0
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   -8.8220   -1.4860   -2.0400 H   0  0  0  0  0
  -10.4450    0.6180   -0.7810 H   0  0  0  0  0
   -8.1040    1.9530    0.3940 H   0  0  0  0  0
   -6.0650    0.8960    1.2790 H   0  0  0  0  0
   -1.1710   -2.6840    2.0830 H   0  0  0  0  0
   -0.2120   -1.1850    2.1000 H   0  0  0  0  0
    1.8730   -2.5440    1.9090 H   0  0  0  0  0
    0.8910   -4.0280    1.9690 H   0  0  0  0  0
    1.0090   -1.8830    4.1370 H   0  0  0  0  0
    0.0260   -3.3660    4.1970 H   0  0  0  0  0
    1.8030   -3.4740    4.2070 H   0  0  0  0  0
    4.0860   -1.4570    1.0070 H   0  0  0  0  0
    4.7250   -2.8050    0.0430 H   0  0  0  0  0
    6.9210   -2.1630    0.9040 H   0  0  0  0  0
    8.9670   -0.8890    0.4320 H   0  0  0  0  0
    8.8750    1.0760   -1.0560 H   0  0  0  0  0
    6.7370    1.7430   -2.0690 H   0  0  0  0  0
    4.2240    1.6830   -1.6950 H   0  0  0  0  0
    4.3980    0.3790   -2.8930 H   0  0  0  0  0
  1  2  1  0  0  0
  1 41  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 42  1  0  0  0
  4  5  2  0  0  0
  4 43  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 44  1  0  0  0
  7 45  1  0  0  0
  8  9  1  0  0  0
  8 46  1  0  0  0
  8 47  1  0  0  0
  9 10  1  0  0  0
  9 16  1  0  0  0
  9 48  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 13 49  1  0  0  0
 14 15  1  0  0  0
 14 16  2  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 30  1  0  0  0
 17 50  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 20 21  1  0  0  0
 20 51  1  0  0  0
 21 22  1  0  0  0
 21 52  1  0  0  0
 21 53  1  0  0  0
 22 23  1  0  0  0
 22 54  1  0  0  0
 22 55  1  0  0  0
 23 24  2  0  0  0
 23 29  1  0  0  0
 24 25  1  0  0  0
 24 56  1  0  0  0
 25 26  2  0  0  0
 25 57  1  0  0  0
 26 27  1  0  0  0
 26 28  1  0  0  0
 27 58  1  0  0  0
 28 29  2  0  0  0
 28 59  1  0  0  0
 29 60  1  0  0  0
 30 31  1  0  0  0
 30 61  1  0  0  0
 30 62  1  0  0  0
 31 32  1  0  0  0
 31 63  1  0  0  0
 31 64  1  0  0  0
 32 65  1  0  0  0
 32 66  1  0  0  0
 32 67  1  0  0  0
 33 34  1  0  0  0
 33 68  1  0  0  0
 33 69  1  0  0  0
 34 35  2  0  0  0
 34 39  1  0  0  0
 35 36  1  0  0  0
 35 70  1  0  0  0
 36 37  2  0  0  0
 36 71  1  0  0  0
 37 38  1  0  0  0
 37 72  1  0  0  0
 38 39  2  0  0  0
 38 73  1  0  0  0
 39 40  1  0  0  0
 40 74  1  0  0  0
 40 75  1  0  0  0
M  CHG  1  15  -1
M  CHG  1  16   1
M  END
$$$$
