C,1,13.24,s,
C,2,47.07,s,
C,3,194.75,s,
O,4,,,
C,5,165.45,s,
N,6,,,
C,7,68.4,s,
C,8,31.5,s,
C,9,20.3,s,
C,10,34.13,s,
C,11,50.54,s,
C,12,26.26,s,
C,13,24.74,s,
C,14,56.93,s,
C,15,39.4,s,
C,16,47.4,s,
C,17,,,
O,18,,,
C,19,56.4,s,
C,20,31.4,s,
C,21,70.1,s,
O,22,,,
C,23,33.3,s,
C,24,37.0,s,
C,25,42.2,s,
C,26,13.3,s,
C,27,54.8,s,
C,28,22.6,s,
C,29,38.07,s,
C,30,37.91,s,
C,31,16.96,s,
H,32,1.09,d,6.7
H,33,1.09,d,6.7
H,34,1.09,d,6.7
H,35,2.78,qd,"6.7,5.7"
H,36,3.92,dd,"12.4,7.7"
H,37,3.92,dd,"12.4,9.8"
H,38,2.13,m,
H,39,0.9,d,6.4
H,40,0.9,d,6.4
H,41,0.9,d,6.4
H,42,2.65,dd,"12.4,6.9"
H,43,2.65,dd,"12.4,11.2"
H,44,1.61,ddd,"12.7,5.7,4.5"
H,45,1.48,m,
H,46,1.48,m,
H,47,1.32,m,
H,48,1.32,m,
H,49,1.31,ddd,"10.5,10.3,8.5"
H,50,1.59,m,
H,51,2.21,dd,"15.4,12.7"
H,52,2.21,dd,"15.4,3.3"
H,53,2.66,dd,"12.7,3.3"
H,54,1.88,ddd,"12.7,12.4,3.4"
H,55,1.88,ddd,"12.4,9.8,3.3"
H,56,3.73,m,
H,57,,,
H,58,1.85,m,
H,59,1.85,m,
H,60,1.61,ddd,"12.4,7.3,2.0"
H,61,1.61,ddd,"12.4,10.8,7.9"
H,62,0.82,s,
H,63,0.82,s,
H,64,0.82,s,
H,65,0.9,ddd,"12.2,12.0,1.8"
H,66,1.46,m,
H,67,1.46,m,
H,68,1.17,ddd,"12.4,4.2,3.8"
H,69,1.17,ddd,"13.7,12.4,2.9"
H,70,1.02,s,
H,71,1.02,s,
H,72,1.02,s,
