C,1,18.29,s,
C,2,77.38,s,
O,3,,,
C,4,70.43,s,
C,5,38.77,s,
C,6,61.05,s,
N,7,,,
C,8,169.64,s,
O,9,,,
C,10,61.2,s,
O,11,,,
C,12,141.81,s,
C,13,116.16,s,
C,14,128.25,s,
C,15,122.44,s,
C,16,124.58,s,
C,17,134.28,s,
C,18,41.86,s,
C,19,38.94,s,
C,20,49.76,s,
N,21,,,
C,22,53.83,s,
C,23,41.77,s,
C,24,37.9,s,
C,25,30.5,s,
C,26,92.26,s,
O,27,,,
H,28,1.37,d,6.1
H,29,1.37,d,6.1
H,30,1.37,d,6.1
H,31,4.58,qd,"6.1,5.3"
H,32,4.04,dd,"9.4,4.9"
H,33,4.04,dd,"9.4,1.6"
H,34,2.27,m,
H,35,3.54,d,3.5
H,36,4.1,s,
H,37,4.1,s,
H,38,,,
H,39,8.04,ddd,"8.8,1.4,0.5"
H,40,7.2,ddd,"8.8,7.7,1.4"
H,41,6.94,ddd,"8.2,7.7,1.4"
H,42,7.25,ddd,"8.2,1.4,0.5"
H,43,2.18,ddd,"12.4,11.1,9.6"
H,44,2.18,ddd,"12.4,6.2,0.5"
H,45,3.34,ddd,"11.1,9.4,6.2"
H,46,3.34,ddd,"9.6,9.4,0.5"
H,47,3.31,dd,"12.4,5.1"
H,48,3.31,dd,"12.4,10.3"
H,49,1.81,m,
H,50,1.59,m,
H,51,2.05,dd,"12.4,4.3"
H,52,2.05,dd,"12.4,3.5"
H,53,,,
