C,1,20.2,s,
C,2,133.12,s,
C,3,132.74,s,
C,4,33.73,s,
C,5,20.81,s,
C,6,35.12,s,
C,7,69.34,s,
C,8,20.55,s,
O,9,,,
C,10,171.36,s,
O,11,,,
C,12,60.62,s,
C,13,68.56,s,
C,14,20.14,s,
O,15,,,
N,16,,,
C,17,171.56,s,
O,18,,,
C,19,61.57,s,
C,20,35.65,s,
C,21,128.1,s,
C,22,126.82,s,
C,23,114.7,s,
C,24,152.9,s,
O,25,,,
C,26,85.8,s,
I,27,,,
C,28,139.73,s,
N,29,,,
C,30,30.04,s,
C,31,173.85,s,
O,32,,,
C,33,46.43,s,
C,34,14.83,s,
N,35,,,
C,36,175.06,s,
O,37,,,
C,38,35.32,s,
C,39,15.77,s,
C,40,33.14,s,
H,41,1.75,s,
H,42,1.75,s,
H,43,1.75,s,
H,44,5.92,d,11.2
H,45,2.47,m,
H,46,0.98,d,6.7
H,47,0.98,d,6.7
H,48,0.98,d,6.7
H,49,1.88,ddd,"12.4,4.5,2.8"
H,50,1.88,ddd,"12.4,5.4,3.3"
H,51,5.09,qdd,"6.1,5.4,2.8"
H,52,1.26,d,6.1
H,53,1.26,d,6.1
H,54,1.26,d,6.1
H,55,4.68,dd,"7.0,5.1"
H,56,4.03,qd,"6.1,5.1"
H,57,0.99,d,6.1
H,58,0.99,d,6.1
H,59,0.99,d,6.1
H,60,,,
H,61,7.4,d,7.0
H,62,4.75,t,6.5
H,63,3.18,d,6.5
H,64,3.18,d,6.5
H,65,6.92,dd,"7.9,1.9"
H,66,6.91,dd,"7.9,0.5"
H,67,,,
H,68,7.84,dd,"1.9,0.5"
H,69,2.87,s,
H,70,2.87,s,
H,71,2.87,s,
H,72,4.07,dq,"7.0,6.6"
H,73,1.17,d,6.6
H,74,1.17,d,6.6
H,75,1.17,d,6.6
H,76,7.4,d,7.0
H,77,2.8,ddq,"10.5,7.4,6.7"
H,78,1.26,d,6.7
H,79,1.26,d,6.7
H,80,1.26,d,6.7
H,81,2.44,dd,"15.4,7.4"
H,82,2.44,dd,"15.4,10.5"
