C,1,15.61,s,
C,2,139.28,s,
C,3,126.82,s,
C,4,20.35,s,
C,5,167.29,s,
O,6,,,
O,7,,,
C,8,77.06,s,
C,9,44.04,s,
C,10,89.85,s,
C,11,20.89,s,
O,12,,,
C,13,184.5,s,
C,14,106.7,s,
C,15,,,
O,16,,,
C,17,132.7,s,
C,18,63.2,s,
O,19,,,
C,20,135.3,s,
C,21,78.54,s,
O,22,,,
C,23,172.75,s,
O,24,,,
C,25,77.48,s,
O,26,,,
C,27,51.45,s,
Cl,28,,,
C,29,49.6,s,
H,30,1.9,d,7.0
H,31,1.9,d,7.0
H,32,1.9,d,7.0
H,33,6.46,q,7.0
H,34,1.87,s,
H,35,1.87,s,
H,36,1.87,s,
H,37,5.64,ddd,"6.7,3.8,1.9"
H,38,2.4,dd,"12.4,1.9"
H,39,2.4,dd,"12.4,6.7"
H,40,1.53,s,
H,41,1.53,s,
H,42,1.53,s,
H,43,5.82,s,
H,44,4.39,s,
H,45,4.39,s,
H,46,,,
H,47,6.28,d,5.6
H,48,5.35,dd,"5.6,3.5"
H,49,,,
H,50,3.65,s,
H,51,3.65,s,
H,52,2.58,dd,"3.8,3.5"
