A4419.cdx
  ChemDraw06111413502D

 54 56  0  0  0  0  0  0  0  0999 V2000
    3.7473   -3.9009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5604   -4.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8461   -4.8143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0877   -3.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8020   -2.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9889   -2.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7031   -1.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8900   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627   -2.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6484   -2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4615   -3.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3293   -1.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8566   -1.3632    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1424   -2.1371    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0435   -1.2238    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5496   -2.0742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9447    2.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4720    1.8582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0435    3.4060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2304    3.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7031    3.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8900    3.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3627    4.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3293    4.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8020    4.8143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1424    4.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0327    1.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5054    2.0742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1316    2.3531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3731    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0874    0.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6147   -0.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4278   -0.3240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3289   -1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6481   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1754   -0.8819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7470    0.6659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9339    0.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4065    1.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4065    1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7716    0.2816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5880    0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7275    1.2133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9973    1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2638   -1.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7912   -0.6659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1650   -0.3869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4507   -1.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0766   -1.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2092   -2.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0223   -2.7086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3182   -3.2036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  2  0      
  2  4  1  0      
  4  5  2  0      
  5  6  1  0      
  6  7  1  0      
  7  8  2  0      
  8  9  1  0      
  9 10  2  0      
 10 11  1  0      
  1 11  1  0      
  6 11  2  0      
 12 13  1  0      
 12 14  1  0      
 12 15  1  0      
  5 12  1  0      
  9 16  1  0      
 17 18  2  0      
 20 19  1  1      
 17 20  1  0      
 20 21  1  0      
 21 22  1  0      
 22 23  1  0      
 22 24  1  0      
 25 26  2  0      
 25 27  1  0      
 19 25  1  0      
 28 29  2  0      
 31 30  1  6      
 28 31  1  0      
 31 32  1  0      
 32 33  1  0      
 33 34  1  0      
 34 35  2  0      
 34 36  1  0      
 17 30  1  0      
 37 38  2  0      
 40 39  1  1      
 37 40  1  0      
 40 41  1  0      
 41 42  1  0      
 42 43  1  0      
 43 44  2  0      
 44 45  1  0      
 45 46  1  0      
 42 46  2  0      
 28 39  1  0      
 47 48  2  0      
 50 49  1  6      
 47 50  1  0      
 50 51  1  0      
 51 52  1  0      
 52 53  1  0      
 52 54  2  0      
 37 49  1  0      
 16 47  1  0      
M  END
$$$$
