C,1,16.35,s,
C,2,42.4,s,
C,3,26.9,s,
C,4,38.5,s,
C,5,48.3,s,
C,6,180.6,s,
O,7,,,
O,8,,,
C,9,26.3,s,
C,10,29.26,s,
C,11,42.17,s,
C,12,24.39,s,
C,13,140.1,s,
C,14,127.88,s,
C,15,23.78,s,
C,16,49.59,s,
C,17,44.06,s,
C,18,12.18,s,
C,19,77.86,s,
O,20,,,
C,21,73.08,s,
O,22,,,
C,23,77.86,s,
O,24,,,
C,25,39.5,s,
C,26,23.0,s,
C,27,23.0,s,
C,28,51.21,s,
C,29,18.32,s,
C,30,33.06,s,
C,31,40.32,s,
C,32,17.06,s,
C,33,54.6,s,
C,34,72.65,s,
C,35,27.1,s,
O,36,,,
H,37,1.05,d,6.6
H,38,1.05,d,6.6
H,39,1.05,d,6.6
H,40,1.19,qdd,"6.6,4.4,2.9"
H,41,1.77,m,
H,42,1.77,m,
H,43,1.72,ddd,"12.4,4.6,1.9"
H,44,1.72,ddd,"13.7,12.4,4.1"
H,45,,,
H,46,3.16,ddd,"12.4,3.2,3.1"
H,47,3.16,ddd,"13.0,12.4,2.5"
H,48,1.65,ddd,"13.0,12.4,3.2"
H,49,1.65,ddd,"12.4,3.1,2.5"
H,50,1.41,s,
H,51,1.41,s,
H,52,1.41,s,
H,53,5.7,dd,"3.8,3.5"
H,54,1.93,ddd,"15.4,6.7,3.8"
H,55,1.93,ddd,"15.4,13.5,3.5"
H,56,1.63,dd,"13.5,6.7"
H,57,0.91,s,
H,58,0.91,s,
H,59,0.91,s,
H,60,4.13,d,5.7
H,61,,,
H,62,3.8,dd,"8.1,5.7"
H,63,,,
H,64,4.13,d,8.1
H,65,,,
H,66,1.16,s,
H,67,1.16,s,
H,68,1.16,s,
H,69,1.16,s,
H,70,1.16,s,
H,71,1.16,s,
H,72,1.45,dd,"11.1,2.6"
H,73,1.47,m,
H,74,1.47,m,
H,75,1.49,ddd,"13.8,12.4,2.9"
H,76,1.49,ddd,"12.4,3.8,3.3"
H,77,1.14,s,
H,78,1.14,s,
H,79,1.14,s,
H,80,3.05,s,
H,81,1.3,s,
H,82,1.3,s,
H,83,1.3,s,
H,84,,,
