C,1,15.22,s,
C,2,39.0,s,
C,3,49.84,s,
C,4,194.03,s,
O,5,,,
C,6,153.57,s,
C,7,132.07,s,
C,8,31.48,s,
C,9,71.35,s,
O,10,,,
C,11,47.74,s,
C,12,20.18,s,
C,13,40.71,s,
C,14,42.43,s,
C,15,37.76,s,
C,16,43.82,s,
C,17,35.12,s,
C,18,77.06,s,
O,19,,,
C,20,88.15,s,
C,21,62.1,s,
O,22,,,
C,23,46.67,s,
C,24,51.3,s,
H,25,0.82,s,
H,26,0.82,s,
H,27,0.82,s,
H,28,2.57,s,
H,29,2.57,s,
H,30,2.8,ddd,"9.2,8.4,0.5"
H,31,2.8,ddd,"16.4,8.4,7.8"
H,32,4.44,ddd,"16.4,9.2,6.4"
H,33,4.44,ddd,"7.8,6.4,0.5"
H,34,2.94,dd,"18.0,11.2"
H,35,1.8,m,
H,36,1.8,m,
H,37,1.72,ddd,"12.4,9.7,2.9"
H,38,1.72,ddd,"18.0,12.4,11.2"
H,39,2.09,dd,"12.4,10.2"
H,40,2.09,dd,"13.6,12.4"
H,41,1.63,m,
H,42,1.88,ddd,"15.2,12.4,4.9"
H,43,1.88,ddd,"12.4,10.7,9.4"
H,44,4.88,ddd,"11.5,10.7,4.9"
H,45,3.92,s,
H,46,3.92,s,
H,47,,,
H,48,2.06,s,
H,49,2.06,s,
H,50,2.01,d,11.5
