C,1,15.37,s,
C,2,35.87,s,
C,3,53.83,s,
N,4,,,
C,5,54.17,s,
C,6,24.8,s,
C,7,28.96,s,
C,8,40.5,s,
C,9,31.26,s,
C,10,28.87,s,
C,11,27.1,s,
C,12,28.74,s,
C,13,24.74,s,
C,14,31.24,s,
C,15,77.06,s,
O,16,,,
C,17,94.36,s,
C,18,40.5,s,
C,19,31.26,s,
C,20,28.87,s,
C,21,27.1,s,
C,22,28.74,s,
C,23,24.74,s,
C,24,31.24,s,
C,25,77.06,s,
O,26,,,
C,27,94.36,s,
C,28,28.96,s,
C,29,24.8,s,
C,30,54.17,s,
N,31,,,
C,32,53.83,s,
C,33,35.87,s,
C,34,15.37,s,
H,35,1.07,d,6.5
H,36,1.07,d,6.5
H,37,1.07,d,6.5
H,38,1.88,m,
H,39,3.31,dd,"12.4,5.5"
H,40,3.31,dd,"12.4,2.0"
H,41,3.34,ddd,"13.0,12.4,4.5"
H,42,3.34,ddd,"12.4,4.3,2.5"
H,43,1.56,m,
H,44,1.56,m,
H,45,1.58,m,
H,46,1.58,m,
H,47,2.83,m,
H,48,1.58,m,
H,49,1.58,m,
H,50,1.34,m,
H,51,1.34,m,
H,52,1.28,m,
H,53,1.28,m,
H,54,1.26,m,
H,55,1.26,m,
H,56,1.39,m,
H,57,1.39,m,
H,58,2.28,m,
H,59,2.28,m,
H,60,4.88,ddd,"10.0,4.2,2.1"
H,61,6.04,d,2.4
H,62,2.83,m,
H,63,1.58,m,
H,64,1.58,m,
H,65,1.34,m,
H,66,1.34,m,
H,67,1.28,m,
H,68,1.28,m,
H,69,1.26,m,
H,70,1.26,m,
H,71,1.39,m,
H,72,1.39,m,
H,73,2.28,m,
H,74,2.28,m,
H,75,4.88,ddd,"10.8,5.2,2.5"
H,76,6.04,d,9.2
H,77,1.58,m,
H,78,1.58,m,
H,79,1.56,m,
H,80,1.56,m,
H,81,3.34,ddd,"12.4,10.6,7.6"
H,82,3.34,ddd,"12.4,8.1,1.5"
H,83,3.31,dd,"12.4,3.0"
H,84,3.31,dd,"12.4,12.0"
H,85,1.88,m,
H,86,1.07,d,6.5
H,87,1.07,d,6.5
H,88,1.07,d,6.5
