-ISIS-  10240113253D

 16 13  1  0  0  0  0  0  0  0999 V2000
    1.9935    1.2966   -5.4972 A   0  0  0  0  0  0  0  0  0  0  0  0
    0.8808   -1.5978   -6.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4664   -1.7755   -4.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4335   -3.1148   -4.5864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7442   -1.5114   -2.8097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6819   -4.1204   -3.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9490   -2.4832   -1.9129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9546   -3.7769   -2.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7755    0.6604   -6.1136 L   0  0  0  0  0  0  0  0  0  0  0  0
    1.6571   -2.4937   -5.4400 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5305   -3.6688   -6.0836 LP  0  0  0  0  0  0  0  0  0  0  0  0
    3.6592    0.6954   -5.3664 LP  0  0  0  0  0  0  0  0  0  0  0  0
    8.6748   -3.0582    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6791   -1.5466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3660   -3.8081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9715   -3.8122    0.0000 A   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  4  0  0  0  0
  9  1  5  0  0  0  0
 10  2  2  0  0  0  0
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  4  3  4  0  0  0  0
  9 12  1  0  0  0  0
  5  3  4  0  0  0  0
  6  4  4  0  0  0  0
  7  5  4  0  0  0  0
 13 14  5  0  0  0  0
 13 15  5  0  0  0  0
  8  6  4  0  0  0  0
 13 16  1  0  0  0  0
  9 F    2  16   8
M  SUB  2  14   1  15   1
M  UNS  1  13   1
M  ALS   9  2 F S   O   
M  $3D 10
M  $3D -9  0 
M  $3D 24 19    3.7000    5.7000
M  $3D -9  0 
M  $3D 20 24    6.6000    7.8000
M  $3D -1  0 
M  $3D 10 11    2.7500
M  $3D -1  0 
M  $3D  9 12    2.3100
M  $3D-16  0 
M  $3D 19  0  0    1.0000
M  $3D -9  0 
M  $3D 19 20    6.4000    6.8500
M  $3D-16  0 
M  $3D 20  0  0    1.0000
M  $3D -7  0 
M  $3D  6
M  $3D  5  3  7  4  6  8
M  $3D -9  0 
M  $3D 15  9    6.8000    7.8000
M  $3D -9  0 
M  $3D 15 10    3.3000    4.3000
M  END