A1DNH
  CCTOOLS-0731261037

 46 48  0  0  0  0  0  0  0  0999 V2000
    5.4500    1.6900    0.2090 N   0  0  0  0  0
    7.1530   -0.3070    2.4250 N   0  0  0  0  0
    4.0420   -0.0860    0.8770 C   0  0  0  0  0
    6.3170    0.0880    1.7650 C   0  0  0  0  0
    0.9770    1.3510   -1.3870 C   0  0  0  0  0
    0.6430    0.1880   -0.6810 C   0  0  0  0  0
   -0.6770   -0.0770   -0.9140 C   0  0  0  0  0
   -2.7310   -1.0010    0.1600 C   0  0  0  0  0
   -1.6430   -3.5590    0.1410 C   0  0  0  0  0
    0.8200   -4.0590   -0.8540 C   0  0  0  0  0
   -5.0040    1.8540    0.6610 C   0  0  0  0  0
    5.2640    0.5860    0.9320 C   0  0  0  0  0
    4.4820    2.1460   -0.5560 C   0  0  0  0  0
    3.2580    1.4740   -0.6110 C   0  0  0  0  0
    3.0710    0.3740    0.1090 N   0  0  0  0  0
    2.2390    1.9560   -1.4170 N   0  0  0  0  0
   -1.1490    0.8970   -1.7420 N   0  0  0  0  0
   -0.0930    1.7740   -2.0200 N   0  0  0  0  0
   -1.4520   -1.2110   -0.3670 C   0  0  0  0  0
   -3.4500   -2.0700    0.6700 C   0  0  0  0  0
   -2.9060   -3.3420    0.6600 C   0  0  0  0  0
   -0.9100   -2.5010   -0.3730 C   0  0  0  0  0
    0.3310   -2.7160   -0.8810 O   0  0  0  0  0
   -3.2640    0.2480    0.1760 O   0  0  0  0  0
   -4.5750    0.3870    0.7290 C   0  0  0  0  0
   -6.4070    2.0020    1.2520 C   0  0  0  0  0
   -6.8200    3.4110    1.1870 N   0  0  0  0  0
    3.8890   -0.9800    1.4630 H   0  0  0  0  0
    1.3100   -0.3960   -0.0640 H   0  0  0  0  0
   -1.2260   -4.5550    0.1380 H   0  0  0  0  0
    1.8190   -4.0910   -1.2880 H   0  0  0  0  0
    0.8610   -4.4100    0.1780 H   0  0  0  0  0
    0.1530   -4.7000   -1.4290 H   0  0  0  0  0
   -4.3030    2.4640    1.2300 H   0  0  0  0  0
   -5.0110    2.1820   -0.3790 H   0  0  0  0  0
    4.6340    3.0410   -1.1410 H   0  0  0  0  0
    2.4000    2.7130   -2.0030 H   0  0  0  0  0
   -2.0560    0.9700   -2.0800 H   0  0  0  0  0
   -4.4370   -1.9100    1.0760 H   0  0  0  0  0
   -3.4720   -4.1700    1.0590 H   0  0  0  0  0
   -4.5680    0.0580    1.7680 H   0  0  0  0  0
   -5.2760   -0.2240    0.1590 H   0  0  0  0  0
   -7.1080    1.3920    0.6830 H   0  0  0  0  0
   -6.4000    1.6730    2.2910 H   0  0  0  0  0
   -6.7720    3.7580    0.2410 H   0  0  0  0  0
   -7.7440    3.5350    1.5720 H   0  0  0  0  0
  1 13  2  0  0  0
  2  4  3  0  0  0
  3 15  1  0  0  0
  3 28  1  0  0  0
  4 12  1  0  0  0
  5 18  2  0  0  0
  6  5  1  0  0  0
  6  7  2  0  0  0
  6 29  1  0  0  0
  7 17  1  0  0  0
  8 19  1  0  0  0
  9 22  1  0  0  0
  9 30  1  0  0  0
 10 31  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 11 25  1  0  0  0
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 17 38  1  0  0  0
 19  7  1  0  0  0
 19 22  2  0  0  0
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 20 21  1  0  0  0
 20 39  1  0  0  0
 21  9  2  0  0  0
 21 40  1  0  0  0
 22 23  1  0  0  0
 23 10  1  0  0  0
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 25 24  1  0  0  0
 25 41  1  0  0  0
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 26 11  1  0  0  0
 26 43  1  0  0  0
 26 44  1  0  0  0
 27 26  1  0  0  0
 27 45  1  0  0  0
 27 46  1  0  0  0
M  END
$$$$
