C,1,22.81,s,
C,2,170.34,s,
O,3,,,
O,4,,,
C,5,88.01,s,
C,6,20.34,s,
C,7,35.7,s,
C,8,24.84,s,
C,9,38.98,s,
C,10,35.9,s,
C,11,16.2,s,
C,12,40.19,s,
C,13,22.4,s,
C,14,49.38,s,
C,15,72.71,s,
C,16,27.12,s,
C,17,27.12,s,
O,18,,,
C,19,25.28,s,
C,20,52.87,s,
H,21,1.99,s,
H,22,1.99,s,
H,23,1.99,s,
H,24,1.38,s,
H,25,1.38,s,
H,26,1.38,s,
H,27,1.9,ddd,"13.3,12.4,4.6"
H,28,1.9,ddd,"12.4,6.5,2.3"
H,29,1.42,m,
H,30,1.42,m,
H,31,1.72,ddd,"12.4,5.7,1.9"
H,32,1.72,ddd,"12.5,12.4,6.3"
H,33,0.95,s,
H,34,0.95,s,
H,35,0.95,s,
H,36,1.72,ddd,"12.4,10.5,8.6"
H,37,1.72,ddd,"12.4,8.5,1.5"
H,38,1.47,m,
H,39,1.47,m,
H,40,1.36,m,
H,41,1.2,s,
H,42,1.2,s,
H,43,1.2,s,
H,44,1.2,s,
H,45,1.2,s,
H,46,1.2,s,
H,47,,,
H,48,1.89,ddd,"13.4,12.4,9.4"
H,49,1.89,ddd,"12.4,6.0,1.3"
H,50,2.29,dd,"9.4,1.3"
