C,1,114.59,s,
C,2,132.07,s,
C,3,137.54,s,
N,4,,,
C,5,135.7,s,
C,6,110.7,s,
C,7,122.5,s,
C,8,119.4,s,
C,9,118.7,s,
C,10,128.9,s,
C,11,115.2,s,
C,12,22.5,s,
C,13,58.75,s,
N,14,,,
C,15,49.76,s,
C,16,35.55,s,
C,17,77.48,s,
O,18,,,
C,19,132.07,s,
C,20,129.85,s,
C,21,14.38,s,
C,22,51.67,s,
H,23,5.27,s,
H,24,5.27,s,
H,25,,,
H,26,7.35,ddd,"7.3,1.4,0.5"
H,27,7.18,ddd,"7.9,7.3,1.4"
H,28,7.13,ddd,"7.9,7.6,1.4"
H,29,7.52,ddd,"7.6,1.4,0.5"
H,30,2.75,ddd,"15.4,7.9,1.1"
H,31,2.75,ddd,"15.4,12.5,2.1"
H,32,3.34,ddd,"12.4,7.9,2.1"
H,33,3.34,ddd,"12.5,12.4,1.1"
H,34,3.34,ddd,"12.4,6.3,1.4"
H,35,3.34,ddd,"12.8,12.4,4.5"
H,36,1.7,ddd,"12.8,12.4,6.3"
H,37,1.7,ddd,"12.4,4.5,1.4"
H,38,,,
H,39,6.26,q,7.0
H,40,1.83,d,7.0
H,41,1.83,d,7.0
H,42,1.83,d,7.0
H,43,3.82,s,
H,44,3.82,s,
