A4533.cdx
  ChemDraw06111414102D

 71 73  0  0  0  0  0  0  0  0999 V2000
   -5.1420   -6.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9414   -5.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9950   -4.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7944   -3.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8480   -3.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6474   -2.5018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7010   -2.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5005   -1.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5540   -0.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3535    0.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6873   -4.4233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6337   -4.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4867   -3.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2491   -5.4329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5403   -3.1314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1021   -4.1410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1919   -1.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5549    0.4941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4437    1.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5334    1.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0260    0.8186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9454    2.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3648    3.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6279    3.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    4.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2012    4.0215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7818    4.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3698    5.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3771    5.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7965    5.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1962    5.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9650    6.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2952    3.9774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2671    4.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3666    5.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4440    5.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2258    6.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2256    5.6910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2082    6.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8879    6.4369    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.1420    7.0991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6337    5.7747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5501    7.1828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0127    3.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2136    4.5162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8162    2.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5618    1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5038    2.2294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3653    0.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1109    0.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4232    0.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2268   -0.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6777    1.2783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9723   -1.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2847   -0.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0882   -1.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8338   -2.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1462   -1.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4006   -1.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9497   -2.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0076   -3.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8111   -4.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1309   -4.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8765   -3.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3274   -5.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0884   -6.3774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2537   -7.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9547    3.8610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1173    4.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4182   -6.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0349   -6.7198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  1  0      
  3  4  1  0      
  4  5  1  0      
  5  6  1  0      
  6  7  1  0      
  7  8  1  0      
  8  9  1  0      
  9 10  1  0      
  2 11  1  6      
 11 12  1  0      
 11 13  1  0      
  3 14  1  1      
  4 15  1  6      
  5 16  2  0      
  9 17  1  1      
 10 18  1  0      
 18 19  1  0      
 19 20  2  0      
 20 21  1  0      
 21 10  2  0      
 20 22  1  0      
 22 23  2  0      
 23 24  1  0      
 25 24  1  1      
 25 26  1  0      
 26 27  1  0      
 27 28  1  0      
 28 29  1  0      
 29 30  1  0      
 30 25  1  0      
 30 31  1  1      
 29 32  1  6      
 27 33  1  6      
 33 34  1  0      
 34 35  1  0      
 35 36  1  0      
 36 27  1  0      
 36 37  1  0      
 35 38  1  1      
 36 39  1  0      
 38 40  1  0      
 40 41  2  0      
 40 42  1  0      
 40 43  1  0      
 34 44  1  0      
 34 45  1  6      
 44 46  1  0      
 46 47  1  0      
 47 48  1  6      
 47 49  1  0      
 49 50  1  6      
 49 51  1  0      
 51 52  1  0      
 51 53  1  1      
 52 54  1  6      
 52 55  1  0      
 55 56  2  0      
 56 57  1  0      
 56 58  1  0      
 58 59  1  0      
 58 60  2  0      
 60 61  1  0      
 61 62  2  0      
 62 63  1  0      
 63 64  1  0      
 63 65  2  0      
  1 66  1  0      
 66 67  1  0      
 44 68  1  1      
 68 69  1  0      
 65 70  1  0      
 70 71  3  0      
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  66  67
M  SBL   1  1  68
M  SMT   1 ^OCH3
M  SBV   1  68    0.9464    0.3148
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  68  69
M  SBL   2  1  70
M  SMT   2 OCH3
M  SBV   2  70   -0.9421   -0.3170
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  70  71
M  SBL   3  1  72
M  SMT   3 CN
M  SBV   3  72   -0.7456    0.6573
M  END
$$$$
