C,1,7.55,s,
C,2,29.05,s,
C,3,35.12,s,
C,4,29.04,s,
C,5,21.02,s,
C,6,46.8,s,
N,7,,,
C,8,51.05,s,
C,9,17.0,s,
C,10,103.9,s,
C,11,133.78,s,
N,12,,,
C,13,137.91,s,
C,14,109.7,s,
C,15,121.0,s,
C,16,119.7,s,
C,17,118.3,s,
C,18,128.3,s,
C,19,57.53,s,
C,20,136.46,s,
C,21,127.4,s,
C,22,113.39,s,
C,23,149.2,s,
C,24,134.28,s,
C,25,127.72,s,
C,26,58.4,s,
C,27,37.2,s,
C,28,51.33,s,
N,29,,,
C,30,53.05,s,
C,31,21.02,s,
C,32,29.04,s,
C,33,35.12,s,
C,34,35.28,s,
C,35,34.93,s,
C,36,61.74,s,
N,37,,,
C,38,46.85,s,
C,39,171.25,s,
O,40,,,
O,41,,,
C,42,52.0,s,
C,43,42.11,s,
C,44,71.28,s,
C,45,38.34,s,
C,46,59.04,s,
H,47,0.77,t,7.1
H,48,0.77,t,7.1
H,49,0.77,t,7.1
H,50,1.29,q,7.1
H,51,1.29,q,7.1
H,52,1.58,ddd,"12.4,5.1,1.9"
H,53,1.58,ddd,"13.2,12.4,7.6"
H,54,1.61,m,
H,55,1.61,m,
H,56,2.53,ddd,"13.0,12.4,3.3"
H,57,2.53,ddd,"12.4,4.0,3.7"
H,58,3.29,ddd,"12.4,9.2,1.3"
H,59,3.29,ddd,"12.4,9.6,9.3"
H,60,2.83,ddd,"15.4,9.3,9.2"
H,61,2.83,ddd,"15.4,9.6,1.3"
H,62,7.54,ddd,"8.0,1.4,0.5"
H,63,7.43,ddd,"8.0,6.9,1.4"
H,64,7.2,ddd,"7.3,6.9,1.4"
H,65,7.5,ddd,"7.3,1.4,0.5"
H,66,7.42,dd,"13.8,4.5"
H,67,7.56,dd,"7.9,1.9"
H,68,7.03,dd,"7.9,0.5"
H,69,7.2,dd,"1.9,0.5"
H,70,2.18,ddd,"12.4,11.4,3.0"
H,71,2.18,ddd,"12.4,11.5,5.1"
H,72,3.11,ddd,"11.4,9.4,5.1"
H,73,3.11,ddd,"11.5,9.4,3.0"
H,74,2.81,ddd,"12.4,11.7,6.0"
H,75,2.81,ddd,"12.4,6.5,2.2"
H,76,1.61,m,
H,77,1.61,m,
H,78,1.58,ddd,"12.4,10.3,8.6"
H,79,1.58,ddd,"12.4,9.5,1.5"
H,80,1.72,ddd,"12.4,11.3,2.9"
H,81,1.72,ddd,"12.4,11.2,7.6"
H,82,1.99,ddd,"12.4,11.3,7.6"
H,83,1.99,ddd,"12.4,11.2,2.9"
H,84,,,
H,85,4.09,dd,"11.5,9.5"
H,86,3.14,s,
H,87,3.14,s,
H,88,3.14,s,
H,89,2.04,dd,"12.4,9.5"
H,90,2.04,dd,"12.4,11.5"
H,91,2.67,s,
H,92,2.15,dd,"12.4,4.5"
H,93,2.15,dd,"13.8,12.4"
H,94,4.1,s,
