C,1,55.58,s,
O,2,,,
C,3,161.3,s,
C,4,104.5,s,
C,5,120.6,s,
C,6,132.82,s,
C,7,135.99,s,
C,8,99.99,s,
N,9,,,
C,10,170.38,s,
C,11,23.42,s,
O,12,,,
C,13,61.05,s,
C,14,40.4,s,
C,15,99.79,s,
O,16,,,
O,17,,,
C,18,68.62,s,
C,19,127.45,s,
C,20,140.57,s,
C,21,52.69,s,
N,22,,,
C,23,50.96,s,
C,24,42.57,s,
C,25,52.77,s,
C,26,60.23,s,
C,27,26.71,s,
C,28,42.38,s,
H,29,3.84,s,
H,30,3.84,s,
H,31,3.84,s,
H,32,6.93,dd,"6.9,1.9"
H,33,7.56,dd,"6.9,0.5"
H,34,7.41,dd,"1.9,0.5"
H,35,2.28,s,
H,36,2.28,s,
H,37,2.28,s,
H,38,3.54,d,9.6
H,39,2.83,ddd,"9.6,7.7,6.4"
H,40,5.2,d,6.4
H,41,,,
H,42,4.45,dd,"13.4,4.5"
H,43,4.45,dd,"13.4,3.0"
H,44,5.88,dd,"4.5,3.0"
H,45,3.2,s,
H,46,3.2,s,
H,47,3.01,ddd,"10.0,9.4,5.5"
H,48,3.01,ddd,"11.6,9.4,2.4"
H,49,1.85,ddd,"12.4,11.6,5.5"
H,50,1.85,ddd,"12.4,10.0,2.4"
H,51,3.91,dd,"3.7,3.2"
H,52,1.88,ddd,"12.4,5.1,3.7"
H,53,1.88,ddd,"12.4,3.2,1.0"
H,54,2.99,ddd,"7.7,5.1,1.0"
