C,1,53.1,s,
O,2,,,
C,3,172.75,s,
O,4,,,
C,5,77.48,s,
O,6,,,
C,7,42.92,s,
S,8,,,
O,9,,,
C,10,59.55,s,
C,11,27.8,s,
C,12,25.99,s,
C,13,34.9,s,
C,14,73.36,s,
C,15,20.34,s,
O,16,,,
C,17,172.22,s,
O,18,,,
C,19,39.49,s,
C,20,136.59,s,
C,21,112.78,s,
C,22,161.4,s,
O,23,,,
C,24,104.63,s,
C,25,162.4,s,
O,26,,,
C,27,116.46,s,
C,28,,,
O,29,,,
C,30,40.4,s,
H,31,3.81,s,
H,32,3.81,s,
H,33,3.81,s,
H,34,,,
H,35,4.76,s,
H,36,4.76,s,
H,37,5.47,ddd,"7.1,3.3,1.6"
H,38,2.05,m,
H,39,2.05,m,
H,40,1.42,m,
H,41,1.42,m,
H,42,1.59,m,
H,43,1.59,m,
H,44,4.89,qdd,"6.1,5.3,2.5"
H,45,1.12,d,6.1
H,46,1.12,d,6.1
H,47,1.12,d,6.1
H,48,3.64,s,
H,49,3.64,s,
H,50,6.27,d,1.9
H,51,,,
H,52,6.45,d,1.9
H,53,,,
H,54,2.83,d,3.3
