C,1,12.85,s,
C,2,120.71,s,
C,3,142.04,s,
C,4,51.67,s,
N,5,,,
C,6,161.74,s,
O,7,,,
C,8,52.0,s,
C,9,24.51,s,
C,10,31.9,s,
C,11,51.8,s,
C,12,172.5,s,
O,13,,,
O,14,,,
C,15,51.5,s,
C,16,51.2,s,
C,17,36.62,s,
C,18,67.25,s,
O,19,,,
C,20,106.3,s,
N,21,,,
C,22,147.5,s,
C,23,110.5,s,
C,24,127.9,s,
C,25,120.8,s,
C,26,125.1,s,
C,27,135.2,s,
H,28,1.65,d,7.0
H,29,1.65,d,7.0
H,30,1.65,d,7.0
H,31,5.45,q,7.0
H,32,3.82,s,
H,33,3.82,s,
H,34,8.25,s,
H,35,4.28,dd,"2.4,1.0"
H,36,2.11,ddd,"12.4,2.4,2.3"
H,37,2.11,ddd,"12.4,4.8,1.0"
H,38,3.69,ddd,"7.0,4.8,2.3"
H,39,3.08,d,7.0
H,40,3.7,s,
H,41,3.7,s,
H,42,3.7,s,
H,43,2.19,ddd,"11.0,8.4,3.8"
H,44,2.19,ddd,"11.3,8.4,6.8"
H,45,3.95,ddd,"11.3,6.4,3.8"
H,46,3.95,ddd,"11.0,6.8,6.4"
H,47,,,
H,48,7.15,ddd,"7.7,1.4,0.5"
H,49,7.22,ddd,"7.7,7.5,1.4"
H,50,6.94,ddd,"8.0,7.5,1.4"
H,51,7.25,ddd,"8.0,1.4,0.5"
