C,1,12.72,s,
C,2,118.86,s,
C,3,140.39,s,
C,4,51.67,s,
N,5,,,
C,6,56.97,s,
C,7,36.24,s,
C,8,47.74,s,
C,9,41.86,s,
C,10,67.18,s,
O,11,,,
C,12,174.33,s,
O,13,,,
O,14,,,
C,15,52.29,s,
C,16,64.27,s,
C,17,26.8,s,
C,18,37.4,s,
C,19,157.99,s,
N,20,,,
C,21,145.91,s,
C,22,124.0,s,
C,23,132.76,s,
C,24,123.18,s,
C,25,124.74,s,
C,26,137.03,s,
H,27,1.67,d,7.0
H,28,1.67,d,7.0
H,29,1.67,d,7.0
H,30,5.45,q,7.0
H,31,3.82,s,
H,32,3.82,s,
H,33,4.4,dd,"9.6,5.8"
H,34,1.87,ddd,"12.4,9.6,3.7"
H,35,1.87,ddd,"12.4,5.8,3.1"
H,36,2.94,dd,"3.7,3.1"
H,37,3.97,s,
H,38,3.97,s,
H,39,,,
H,40,3.63,s,
H,41,3.63,s,
H,42,3.63,s,
H,43,3.78,dd,"7.0,1.4"
H,44,1.85,ddd,"12.4,6.9,1.4"
H,45,1.85,ddd,"12.4,11.6,7.0"
H,46,2.83,dd,"11.6,6.9"
H,47,7.48,ddd,"8.0,1.4,0.5"
H,48,7.51,ddd,"8.1,8.0,1.4"
H,49,6.88,ddd,"8.1,6.5,1.4"
H,50,7.23,ddd,"6.5,1.4,0.5"
