C,1,12.85,s,
C,2,120.71,s,
C,3,142.04,s,
C,4,51.9,s,
N,5,,,
C,6,42.3,s,
C,7,62.1,s,
C,8,35.29,s,
C,9,110.5,s,
C,10,137.8,s,
N,11,,,
C,12,136.0,s,
C,13,109.5,s,
C,14,121.21,s,
C,15,118.7,s,
C,16,117.4,s,
C,17,130.0,s,
C,18,36.8,s,
C,19,142.13,s,
C,20,127.92,s,
C,21,119.3,s,
C,22,127.08,s,
C,23,109.7,s,
C,24,141.9,s,
N,25,,,
C,26,142.9,s,
C,27,116.56,s,
C,28,33.7,s,
C,29,34.7,s,
C,30,36.36,s,
C,31,31.1,s,
C,32,41.6,s,
C,33,28.2,s,
C,34,11.9,s,
C,35,57.0,s,
N,36,,,
C,37,49.3,s,
C,38,20.0,s,
C,39,54.5,s,
C,40,32.61,s,
C,41,42.38,s,
C,42,40.4,s,
C,43,172.96,s,
O,44,,,
O,45,,,
C,46,52.08,s,
H,47,1.65,d,7.0
H,48,1.65,d,7.0
H,49,1.65,d,7.0
H,50,5.41,q,7.0
H,51,3.77,s,
H,52,3.77,s,
H,53,2.61,s,
H,54,2.61,s,
H,55,2.61,s,
H,56,4.0,ddd,"14.4,10.6,6.7"
H,57,3.21,dd,"15.4,6.7"
H,58,3.21,dd,"15.4,14.4"
H,59,,,
H,60,7.2,ddd,"7.5,1.4,0.5"
H,61,7.18,td,"7.5,1.4"
H,62,7.13,td,"7.5,1.4"
H,63,7.53,ddd,"7.5,1.4,0.5"
H,64,2.83,dd,"9.2,3.0"
H,65,7.56,dd,"7.5,1.9"
H,66,7.24,dd,"7.5,0.5"
H,67,,,
H,68,7.48,dd,"1.9,0.5"
H,69,2.83,ddd,"17.1,14.3,11.8"
H,70,1.66,ddd,"17.1,12.4,1.4"
H,71,1.66,ddd,"12.4,11.8,6.8"
H,72,1.65,m,
H,73,1.66,ddd,"12.4,9.2,4.9"
H,74,1.66,td,"12.4,1.7"
H,75,2.37,m,
H,76,1.44,qd,"7.0,6.0"
H,77,1.44,qd,"7.0,6.0"
H,78,0.88,t,7.0
H,79,0.88,t,7.0
H,80,0.88,t,7.0
H,81,3.85,dd,"16.2,14.3"
H,82,3.34,ddd,"12.4,10.1,2.9"
H,83,3.34,ddd,"16.6,12.4,9.4"
H,84,3.15,ddd,"16.6,13.4,10.1"
H,85,3.15,ddd,"13.4,9.4,2.9"
H,86,3.31,dd,"12.4,12.0"
H,87,3.31,dd,"12.4,4.4"
H,88,1.66,ddd,"15.2,12.4,3.0"
H,89,1.66,ddd,"12.4,9.2,8.9"
H,90,3.74,ddd,"15.2,8.9,6.7"
H,91,2.74,dd,"10.6,6.7"
H,92,2.47,s,
H,93,2.47,s,
H,94,2.47,s,
