C,1,18.22,s,
C,2,35.76,s,
C,3,35.27,s,
C,4,30.57,s,
C,5,73.63,s,
O,6,,,
S,7,,,
O,8,,,
O,9,,,
O,10,,,
C,11,35.12,s,
C,12,42.85,s,
C,13,28.59,s,
C,14,30.81,s,
C,15,36.04,s,
C,16,49.11,s,
C,17,21.08,s,
C,18,35.62,s,
C,19,42.24,s,
C,20,16.14,s,
C,21,73.63,s,
O,22,,,
S,23,,,
O,24,,,
O,25,,,
O,26,,,
C,27,30.57,s,
C,28,23.27,s,
C,29,50.56,s,
H,30,0.91,s,
H,31,0.91,s,
H,32,0.91,s,
H,33,0.99,ddd,"12.4,12.0,7.7"
H,34,2.0,ddd,"12.4,6.7,1.9"
H,35,1.68,m,
H,36,2.58,m,
H,37,3.89,m,
H,38,,,
H,39,2.0,ddd,"12.4,3.4,3.0"
H,40,1.59,ddd,"12.5,12.4,9.3"
H,41,2.12,m,
H,42,1.47,m,
H,43,2.0,m,
H,44,1.47,m,
H,45,1.71,m,
H,46,1.49,m,
H,47,1.83,ddd,"12.1,11.6,1.4"
H,48,2.0,m,
H,49,2.0,m,
H,50,1.0,ddd,"12.4,4.0,3.7"
H,51,1.8,ddd,"13.6,12.4,1.7"
H,52,0.69,s,
H,53,0.69,s,
H,54,0.69,s,
H,55,3.89,dd,"9.8,8.1"
H,56,,,
H,57,1.39,m,
H,58,2.0,m,
H,59,2.0,m,
H,60,1.87,m,
H,61,1.41,ddd,"12.6,10.3,5.2"
