C,1,55.68,s,
O,2,,,
C,3,162.35,s,
C,4,103.3,s,
C,5,163.24,s,
O,6,,,
C,7,107.8,s,
C,8,142.71,s,
C,9,107.6,s,
C,10,78.15,s,
C,11,76.65,s,
C,12,37.72,s,
C,13,70.48,s,
O,14,,,
C,15,73.63,s,
O,16,,,
C,17,98.7,s,
C,18,137.21,s,
C,19,131.87,s,
C,20,31.0,s,
C,21,72.7,s,
C,22,20.86,s,
O,23,,,
O,24,,,
O,25,,,
C,26,168.48,s,
O,27,,,
H,28,3.8,s,
H,29,3.8,s,
H,30,3.8,s,
H,31,6.49,d,1.9
H,32,,,
H,33,6.94,d,1.9
H,34,5.76,d,4.9
H,35,4.36,ddd,"9.7,4.9,0.5"
H,36,2.28,ddd,"12.4,8.9,0.5"
H,37,2.28,ddd,"12.4,9.7,9.0"
H,38,4.17,ddd,"9.0,8.9,6.6"
H,39,,,
H,40,4.52,d,6.6
H,41,,,
H,42,6.45,d,11.0
H,43,5.83,ddd,"11.0,4.1,3.6"
H,44,2.4,ddd,"15.4,6.8,4.1"
H,45,2.4,ddd,"15.4,8.5,3.6"
H,46,4.53,ddq,"8.5,6.8,6.0"
H,47,1.29,d,6.0
H,48,1.29,d,6.0
H,49,1.29,d,6.0
