XMP
  CCTOOLS-0619261020

 38 40  0  0  1  0  0  0  0  0999 V2000
    5.0800    0.9160    0.1790 P   0  0  0  0  0
    5.4640    1.9190    1.3790 O   0  0  0  0  0
    6.2540   -0.1700   -0.0090 O   0  0  0  0  0
    3.7020    0.1620    0.5310 O   0  0  0  0  0
    4.9160    1.6860   -1.0740 O   0  0  0  0  0
    3.0410   -0.7180   -0.3810 C   0  0  0  0  0
    1.7660   -1.2610    0.2670 C   0  0  0  0  0
    0.8240   -0.1930    0.4620 O   0  0  0  0  0
   -0.4930   -0.7540    0.2780 C   0  0  0  0  0
   -1.4610    0.2970   -0.0450 N   0  0  0  0  0
   -2.8050    0.2390    0.1500 C   0  0  0  0  0
   -3.6640   -0.7070    0.6620 N   0  0  0  0  0
   -5.5320    0.6820    0.3090 N   0  0  0  0  0
   -4.9860   -0.4710    0.7300 C   0  0  0  0  0
   -5.7120   -1.3320    1.1880 O   0  0  0  0  0
   -4.7640    1.6660   -0.2060 C   0  0  0  0  0
   -5.2620    2.7100   -0.5870 O   0  0  0  0  0
   -3.3190    1.4490   -0.2980 C   0  0  0  0  0
   -2.2780    2.1910   -0.7460 N   0  3  0  0  0
   -1.1760    1.5140   -0.5920 C   0  0  0  0  0
   -0.3110   -1.7170   -0.9230 C   0  0  0  0  0
   -1.2950   -2.7530   -0.9000 O   0  0  0  0  0
    1.1030   -2.2920   -0.6670 C   0  0  0  0  0
    1.0160   -3.5650   -0.0240 O   0  0  0  0  0
    6.2860    2.4080    1.2350 H   0  0  0  0  0
    6.4170   -0.7120    0.7750 H   0  0  0  0  0
    2.7840   -0.1720   -1.2890 H   0  0  0  0  0
    3.7040   -1.5460   -0.6310 H   0  0  0  0  0
    2.0060   -1.7240    1.2240 H   0  0  0  0  0
   -0.8050   -1.3010    1.1680 H   0  0  0  0  0
   -3.3110   -1.5540    0.9760 H   0  0  0  0  0
   -6.4910    0.8090    0.3770 H   0  0  0  0  0
   -2.3420    3.0840   -1.1180 H   0  0  0  0  0
   -0.1890    1.8620   -0.8600 H   0  0  0  0  0
   -0.3450   -1.1720   -1.8670 H   0  0  0  0  0
   -1.2230   -3.3810   -1.6320 H   0  0  0  0  0
    1.6570   -2.3730   -1.6020 H   0  0  0  0  0
    0.6060   -4.2530   -0.5660 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1  5  2  0  0  0
  2 25  1  0  0  0
  3 26  1  0  0  0
  4  6  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 23  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 21  1  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 20  1  0  0  0
 11 12  1  0  0  0
 11 18  2  0  0  0
 12 14  1  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 13 32  1  0  0  0
 14 15  2  0  0  0
 16 17  2  0  0  0
 16 18  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 33  1  0  0  0
 20 34  1  0  0  0
 21 22  1  0  0  0
 21 23  1  0  0  0
 21 35  1  0  0  0
 22 36  1  0  0  0
 23 24  1  0  0  0
 23 37  1  0  0  0
 24 38  1  0  0  0
M  CHG  1  19   1
M  END
$$$$
