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,19,128.32,s,
C,20,116.56,s,
C,21,142.9,s,
N,22,,,
C,23,141.9,s,
C,24,110.15,s,
C,25,128.2,s,
C,26,105.31,s,
C,27,156.64,s,
O,28,,,
C,29,55.91,s,
C,30,20.0,s,
C,31,49.3,s,
N,32,,,
C,33,54.5,s,
C,34,36.36,s,
C,35,31.1,s,
C,36,41.6,s,
C,37,28.2,s,
C,38,11.9,s,
C,39,57.0,s,
C,40,33.7,s,
C,41,34.7,s,
C,42,32.61,s,
C,43,42.38,s,
C,44,40.4,s,
C,45,172.96,s,
O,46,,,
O,47,,,
C,48,52.08,s,
H,49,1.65,d,7.0
H,50,1.65,d,7.0
H,51,1.65,d,7.0
H,52,5.41,q,7.0
H,53,3.77,s,
H,54,3.77,s,
H,55,2.61,s,
H,56,2.61,s,
H,57,2.61,s,
H,58,4.0,ddd,"9.8,5.9,5.1"
H,59,3.21,dd,"15.4,9.8"
H,60,3.21,dd,"15.4,5.9"
H,61,,,
H,62,7.2,ddd,"8.1,1.4,0.5"
H,63,7.18,ddd,"8.1,7.8,1.4"
H,64,7.13,ddd,"8.3,7.8,1.4"
H,65,7.53,ddd,"8.3,1.4,0.5"
H,66,2.83,dd,"12.6,1.4"
H,67,7.48,d,0.5
H,68,,,
H,69,7.45,d,0.5
H,70,3.84,s,
H,71,3.84,s,
H,72,3.84,s,
H,73,3.15,ddd,"13.4,3.9,3.2"
H,74,3.15,ddd,"13.4,12.8,4.8"
H,75,3.34,ddd,"12.8,12.4,3.9"
H,76,3.34,ddd,"12.4,4.8,3.2"
H,77,3.31,dd,"12.4,1.7"
H,78,3.31,dd,"12.4,3.3"
H,79,1.65,m,
H,80,1.66,ddd,"12.4,9.7,3.0"
H,81,1.66,ddd,"12.4,4.6,2.0"
H,82,2.37,m,
H,83,1.44,qd,"7.0,6.0"
H,84,1.44,qd,"7.0,6.0"
H,85,0.88,t,7.0
H,86,0.88,t,7.0
H,87,0.88,t,7.0
H,88,3.85,dd,"3.8,3.6"
H,89,2.83,ddd,"10.9,3.8,2.9"
H,90,1.66,ddd,"12.4,3.0,2.9"
H,91,1.66,ddd,"12.4,10.9,2.0"
H,92,1.66,ddd,"12.6,12.4,12.1"
H,93,1.66,ddd,"12.4,3.8,1.4"
H,94,3.74,ddd,"12.1,3.8,2.5"
H,95,2.74,dd,"5.1,2.5"
H,96,2.47,s,
H,97,2.47,s,
H,98,2.47,s,
