C,1,12.7,s,
C,2,120.3,s,
C,3,136.3,s,
C,4,46.4,s,
N,5,,,
C,6,87.4,s,
C,7,40.6,s,
C,8,51.2,s,
C,9,134.28,s,
C,10,124.58,s,
C,11,122.44,s,
C,12,131.17,s,
C,13,116.11,s,
C,14,142.35,s,
N,15,,,
C,16,80.2,s,
O,17,,,
C,18,56.72,s,
C,19,92.26,s,
O,20,,,
C,21,52.0,s,
C,22,26.0,s,
C,23,31.1,s,
C,24,51.8,s,
C,25,172.5,s,
O,26,,,
O,27,,,
C,28,51.5,s,
H,29,1.65,d,7.0
H,30,1.65,d,7.0
H,31,1.65,d,7.0
H,32,5.45,q,7.0
H,33,3.82,s,
H,34,3.82,s,
H,35,6.07,dd,"3.5,0.3"
H,36,2.05,dd,"12.4,3.5"
H,37,2.05,dd,"12.4,0.3"
H,38,7.25,ddd,"9.2,1.4,0.5"
H,39,6.94,ddd,"9.2,7.0,1.4"
H,40,7.43,ddd,"7.9,7.0,1.4"
H,41,7.32,ddd,"7.9,1.4,0.5"
H,42,5.11,s,
H,43,5.11,s,
H,44,4.0,s,
H,45,4.0,s,
H,46,4.0,s,
H,47,4.28,dd,"4.8,0.7"
H,48,2.11,ddd,"12.4,4.8,3.9"
H,49,2.11,ddd,"12.4,4.4,0.7"
H,50,3.69,ddd,"8.4,4.4,3.9"
H,51,3.08,d,8.4
H,52,3.7,s,
H,53,3.7,s,
H,54,3.7,s,
