UT3
  CCTOOLS-0612260951

 97 98  0  0  1  0  0  0  0  0999 V2000
   20.0180   -4.0300   19.6100 C   0  0  0  0  0
   20.7530   -5.1940   20.2570 C   0  0  0  0  0
   22.1950   -4.9700   20.6860 C   0  0  0  0  0
   20.1990   -6.3540   20.5180 C   0  0  0  0  0
   18.7710   -6.7030   20.1340 C   0  0  0  0  0
   18.3150   -7.9100   20.3580 C   0  0  0  0  0
   16.9080   -8.2180   19.8870 C   0  0  0  0  0
   17.1180   -8.9270   18.5540 C   0  0  0  0  0
   17.3100   -7.9550   17.3950 C   0  0  0  0  0
   18.7760   -7.8690   16.9790 C   0  0  0  0  0
   16.5460   -8.5950   16.2560 C   0  0  0  0  0
   16.1960   -7.5910   15.1820 C   0  0  0  0  0
   15.3450   -6.5600   15.9520 C   0  0  0  0  0
   14.9600   -5.2250   15.2730 C   0  0  0  0  0
   14.6090   -5.3190   13.7770 C   0  0  0  0  0
   15.9410   -4.0860   15.6650 C   0  0  0  0  0
   15.4890   -8.4410   14.1190 C   0  0  0  0  0
   16.2350   -9.1930   20.8370 C   0  0  0  0  0
   20.1730   -1.4800   19.3620 C   0  0  0  0  0
   19.7880   -1.2710   18.0320 C   0  0  0  0  0
   19.3320    0.0110   17.6600 C   0  0  0  0  0
   18.8240    0.4880   16.2850 C   0  0  0  0  0
   19.7030    0.4440   15.0170 C   0  0  0  0  0
   20.6580   -0.7480   14.8780 C   0  0  0  0  0
   18.7280    0.4800   13.8260 C   0  0  0  0  0
   17.2120    0.4400   14.0700 C   0  0  0  0  0
   16.5940   -0.9330   14.3700 C   0  0  0  0  0
   16.6410   -1.9980   13.2680 C   0  0  0  0  0
   16.3590   -1.5980   11.8260 C   0  0  0  0  0
   16.9490   -3.2570   13.4860 C   0  0  0  0  0
   17.2570   -3.8330   14.8680 C   0  0  0  0  0
   18.2310   -5.0070   14.7010 C   0  0  0  0  0
   19.2460    1.0060   18.6250 C   0  0  0  0  0
   19.6250    0.7900   19.9350 C   0  0  0  0  0
   20.0850   -0.4620   20.3100 C   0  0  0  0  0
   20.6760   -2.7590   19.8320 N   0  0  0  0  0
   19.0000   -4.1340   18.9830 O   0  0  0  0  0
   18.2610   -9.7330   18.6360 O   0  0  0  0  0
   15.3370   -9.0540   16.7920 O   0  0  0  0  0
   14.1790   -7.1700   16.4460 O   0  0  0  0  0
   16.2320   -4.1960   17.0370 O   0  0  0  0  0
   19.8880   -2.3540   17.1390 O   0  0  0  0  0
   18.4850    1.8490   16.4560 O   0  0  0  0  0
   16.0840   -1.1200   15.4350 O   0  0  0  0  0
   19.1360    0.5650   12.7130 O   0  0  0  0  0
   19.5320    1.8510   20.8530 O   0  0  0  0  0
   22.5920   -5.8930   21.1340 H   0  0  0  0  0
   22.8000   -4.6980   19.8090 H   0  0  0  0  0
   22.2350   -4.1570   21.4250 H   0  0  0  0  0
   20.7880   -7.0990   21.0320 H   0  0  0  0  0
   18.1350   -5.9590   19.6780 H   0  0  0  0  0
   18.9170   -8.6550   20.8580 H   0  0  0  0  0
   16.3140   -7.3000   19.7640 H   0  0  0  0  0
   16.2330   -9.5460   18.3460 H   0  0  0  0  0
   16.9070   -6.9610   17.6390 H   0  0  0  0  0
   19.3610   -7.4070   17.7880 H   0  0  0  0  0
   19.1610   -8.8800   16.7810 H   0  0  0  0  0
   18.8630   -7.2580   16.0680 H   0  0  0  0  0
   17.1360   -9.4170   15.8240 H   0  0  0  0  0
   17.1000   -7.1190   14.7690 H   0  0  0  0  0
   15.9510   -6.2770   16.8250 H   0  0  0  0  0
   14.0130   -4.9410   15.7550 H   0  0  0  0  0
   13.9120   -6.1550   13.6150 H   0  0  0  0  0
   14.1370   -4.3800   13.4510 H   0  0  0  0  0
   15.5270   -5.4890   13.1950 H   0  0  0  0  0
   15.3590   -3.1600   15.5450 H   0  0  0  0  0
   16.2140   -9.1270   13.6550 H   0  0  0  0  0
   14.6840   -9.0230   14.5910 H   0  0  0  0  0
   15.0620   -7.7830   13.3480 H   0  0  0  0  0
   16.0720   -8.7050   21.8090 H   0  0  0  0  0
   15.2680   -9.5060   20.4170 H   0  0  0  0  0
   16.8780  -10.0750   20.9730 H   0  0  0  0  0
   17.9080   -0.0790   16.0630 H   0  0  0  0  0
   20.3040    1.3650   14.9910 H   0  0  0  0  0
   21.3500   -0.7660   15.7330 H   0  0  0  0  0
   20.0780   -1.6820   14.8570 H   0  0  0  0  0
   21.2310   -0.6510   13.9440 H   0  0  0  0  0
   16.9960    1.0960   14.9260 H   0  0  0  0  0
   16.7200    0.8370   13.1700 H   0  0  0  0  0
   16.1160   -0.5260   11.7830 H   0  0  0  0  0
   17.2480   -1.7970   11.2100 H   0  0  0  0  0
   15.5090   -2.1820   11.4430 H   0  0  0  0  0
   16.9870   -3.9250   12.6380 H   0  0  0  0  0
   17.8030   -3.0520   15.4180 H   0  0  0  0  0
   18.4640   -5.4340   15.6880 H   0  0  0  0  0
   17.7700   -5.7790   14.0670 H   0  0  0  0  0
   19.1580   -4.6500   14.2280 H   0  0  0  0  0
   18.8710    1.9790   18.3420 H   0  0  0  0  0
   20.3750   -0.6490   21.3340 H   0  0  0  0  0
   21.5350   -2.7620   20.3440 H   0  0  0  0  0
   18.1640  -10.3490   19.3530 H   0  0  0  0  0
   15.5140   -9.6910   17.4750 H   0  0  0  0  0
   13.6610   -6.5290   16.9180 H   0  0  0  0  0
   15.4290   -4.3500   17.5200 H   0  0  0  0  0
   19.6140   -3.1520   17.5760 H   0  0  0  0  0
   17.9390    1.9450   17.2270 H   0  0  0  0  0
   19.8240    1.5570   21.7080 H   0  0  0  0  0
  1 36  1  0  0  0
  1  2  1  0  0  0
  2  4  2  0  0  0
  2  3  1  0  0  0
  3 47  1  0  0  0
  3 48  1  0  0  0
  3 49  1  0  0  0
  4 50  1  0  0  0
  5  6  2  0  0  0
  5  4  1  0  0  0
  5 51  1  0  0  0
  6 52  1  0  0  0
  7  6  1  0  0  0
  7 18  1  0  0  0
  7 53  1  0  0  0
  8 38  1  0  0  0
  8  7  1  0  0  0
  8 54  1  0  0  0
  9  8  1  0  0  0
  9 55  1  0  0  0
 10  9  1  0  0  0
 10 56  1  0  0  0
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 11 39  1  0  0  0
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 12 13  1  0  0  0
 12 11  1  0  0  0
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 13 40  1  0  0  0
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 42 20  1  0  0  0
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 43 96  1  0  0  0
 45 25  2  0  0  0
 46 97  1  0  0  0
M  END
$$$$
