C,1,122.07,s,
C,2,138.89,s,
C,3,166.77,s,
O,4,,,
O,5,,,
C,6,73.63,s,
C,7,34.8,s,
C,8,70.7,s,
N,9,,,
O,10,,,
C,11,80.5,s,
C,12,122.4,s,
C,13,138.1,s,
C,14,67.61,s,
O,15,,,
C,16,179.2,s,
O,17,,,
C,18,74.35,s,
C,19,25.14,s,
O,20,,,
C,21,43.3,s,
C,22,18.6,s,
C,23,37.05,s,
C,24,17.23,s,
C,25,97.5,s,
H,26,5.94,s,
H,27,5.94,s,
H,28,5.12,ddd,"6.9,2.1,1.0"
H,29,2.05,m,
H,30,2.05,m,
H,31,3.65,ddd,"11.3,9.4,6.4"
H,32,3.65,ddd,"11.4,9.4,6.2"
H,33,4.28,dd,"9.4,5.3"
H,34,4.28,dd,"9.4,2.6"
H,35,6.44,dd,"5.3,2.6"
H,36,4.78,s,
H,37,4.78,s,
H,38,1.47,s,
H,39,1.47,s,
H,40,1.47,s,
H,41,,,
H,42,1.98,qd,"6.7,6.5"
H,43,1.05,d,6.7
H,44,1.05,d,6.7
H,45,1.05,d,6.7
H,46,2.54,qd,"6.8,6.5"
H,47,1.24,d,6.8
H,48,1.24,d,6.8
H,49,1.24,d,6.8
H,50,4.86,d,2.1
