C,1,58.89,s,
O,2,,,
C,3,72.44,s,
C,4,38.5,s,
C,5,27.85,s,
C,6,24.85,s,
C,7,78.41,s,
O,8,,,
C,9,57.07,s,
C,10,49.44,s,
C,11,50.54,s,
C,12,37.71,s,
C,13,77.48,s,
O,14,,,
C,15,79.9,s,
O,16,,,
C,17,57.81,s,
C,18,,,
O,19,,,
C,20,53.94,s,
C,21,45.18,s,
C,22,76.57,s,
O,23,,,
C,24,166.26,s,
O,25,,,
C,26,130.86,s,
C,27,129.11,s,
C,28,128.88,s,
C,29,133.32,s,
C,30,128.88,s,
C,31,129.11,s,
C,32,47.72,s,
C,33,81.34,s,
O,34,,,
C,35,57.68,s,
C,36,51.51,s,
C,37,61.05,s,
N,38,,,
C,39,42.3,s,
C,40,62.58,s,
H,41,3.3,s,
H,42,3.3,s,
H,43,3.3,s,
H,44,3.65,s,
H,45,3.65,s,
H,46,1.93,ddd,"12.4,11.1,4.8"
H,47,1.93,ddd,"12.4,11.3,3.0"
H,48,1.79,m,
H,49,1.79,m,
H,50,3.05,dd,"5.5,3.2"
H,51,3.09,s,
H,52,3.09,s,
H,53,3.09,s,
H,54,1.61,ddd,"10.6,8.0,7.2"
H,55,1.96,dd,"12.4,10.6"
H,56,1.96,dd,"12.4,8.0"
H,57,,,
H,58,4.52,s,
H,59,3.42,s,
H,60,3.42,s,
H,61,3.42,s,
H,62,3.17,dd,"6.6,5.0"
H,63,2.77,ddd,"7.2,6.6,6.5"
H,64,5.19,d,6.5
H,65,8.03,m,
H,66,7.46,m,
H,67,7.57,ddt,"8.6,7.7,1.4"
H,68,7.46,m,
H,69,8.03,m,
H,70,1.24,ddd,"5.0,0.7,0.4"
H,71,4.6,dd,"8.1,0.7"
H,72,3.31,s,
H,73,3.31,s,
H,74,3.31,s,
H,75,2.9,d,8.1
H,76,3.54,d,0.4
H,77,2.36,s,
H,78,2.36,s,
H,79,2.36,s,
H,80,2.78,s,
H,81,2.78,s,
