C,1,53.06,s,
O,2,,,
C,3,166.67,s,
O,4,,,
C,5,124.64,s,
C,6,115.13,s,
C,7,162.35,s,
O,8,,,
C,9,55.68,s,
C,10,97.6,s,
C,11,153.05,s,
O,12,,,
C,13,56.22,s,
C,14,139.2,s,
O,15,,,
C,16,155.4,s,
C,17,117.8,s,
Cl,18,,,
C,19,141.4,s,
C,20,18.7,s,
C,21,118.3,s,
Cl,22,,,
C,23,150.9,s,
O,24,,,
C,25,106.5,s,
C,26,170.0,s,
O,27,,,
O,28,,,
C,29,52.4,s,
H,30,3.92,s,
H,31,3.92,s,
H,32,3.92,s,
H,33,6.94,d,1.9
H,34,3.8,s,
H,35,3.8,s,
H,36,3.8,s,
H,37,6.5,d,1.9
H,38,3.85,s,
H,39,3.85,s,
H,40,3.85,s,
H,41,5.91,s,
H,42,5.91,s,
H,43,5.91,s,
H,44,,,
H,45,3.99,s,
H,46,3.99,s,
H,47,3.99,s,
