C,1,15.4,s,
C,2,65.0,s,
O,3,,,
C,4,107.8,s,
O,5,,,
C,6,76.8,s,
C,7,75.4,s,
O,8,,,
C,9,73.1,s,
C,10,26.45,s,
C,11,26.45,s,
O,12,,,
C,13,33.1,s,
C,14,46.35,s,
C,15,52.2,s,
C,16,34.8,s,
C,17,118.0,s,
C,18,159.3,s,
C,19,39.94,s,
C,20,20.6,s,
C,21,37.39,s,
C,22,18.92,s,
C,23,48.76,s,
C,24,37.17,s,
C,25,17.14,s,
C,26,38.18,s,
C,27,24.19,s,
C,28,80.55,s,
O,29,,,
C,30,170.83,s,
C,31,21.21,s,
O,32,,,
C,33,39.26,s,
C,34,22.07,s,
C,35,22.07,s,
C,36,51.21,s,
C,37,27.0,s,
C,38,75.84,s,
O,39,,,
C,40,44.4,s,
C,41,27.3,s,
H,42,1.23,t,6.7
H,43,1.23,t,6.7
H,44,1.23,t,6.7
H,45,3.73,q,6.7
H,46,3.73,q,6.7
H,47,5.23,d,2.1
H,48,4.61,ddd,"8.2,8.1,4.8"
H,49,4.12,d,4.8
H,50,,,
H,51,1.3,s,
H,52,1.3,s,
H,53,1.3,s,
H,54,1.3,s,
H,55,1.3,s,
H,56,1.3,s,
H,57,,,
H,58,1.88,ddd,"12.4,8.1,5.7"
H,59,1.88,ddd,"12.4,10.2,8.2"
H,60,1.7,dtd,"10.2,5.7,2.1"
H,61,1.61,ddd,"7.0,5.7,0.5"
H,62,2.63,ddd,"12.4,7.0,2.6"
H,63,2.63,ddd,"12.4,5.4,0.5"
H,64,5.3,dd,"5.4,2.6"
H,65,1.01,s,
H,66,1.01,s,
H,67,1.01,s,
H,68,2.1,ddd,"12.4,10.3,1.2"
H,69,2.1,ddd,"12.4,10.0,9.3"
H,70,1.69,m,
H,71,1.69,m,
H,72,2.11,dd,"9.9,8.9"
H,73,0.89,s,
H,74,0.89,s,
H,75,0.89,s,
H,76,1.32,ddd,"13.2,12.4,6.3"
H,77,1.32,ddd,"12.4,4.5,4.0"
H,78,1.73,m,
H,79,1.73,m,
H,80,4.47,dd,"10.8,5.9"
H,81,2.01,s,
H,82,2.01,s,
H,83,2.01,s,
H,84,1.07,s,
H,85,1.07,s,
H,86,1.07,s,
H,87,1.07,s,
H,88,1.07,s,
H,89,1.07,s,
H,90,1.26,dd,"13.0,4.0"
H,91,1.88,ddd,"13.0,12.4,2.7"
H,92,1.88,ddd,"12.4,4.0,2.6"
H,93,4.12,dd,"2.7,2.6"
H,94,,,
H,95,1.25,s,
H,96,1.25,s,
H,97,1.25,s,
