C,1,26.85,s,
C,2,51.9,s,
C,3,26.85,s,
N,4,,,
C,5,157.99,s,
C,6,187.5,s,
O,7,,,
C,8,109.51,s,
C,9,140.19,s,
N,10,,,
C,11,136.33,s,
C,12,111.1,s,
C,13,122.04,s,
C,14,122.24,s,
C,15,121.9,s,
C,16,124.9,s,
C,17,41.86,s,
C,18,23.79,s,
C,19,35.28,s,
C,20,28.16,s,
C,21,38.73,s,
C,22,32.61,s,
C,23,40.4,s,
H,24,1.41,s,
H,25,1.41,s,
H,26,1.41,s,
H,27,1.41,s,
H,28,1.41,s,
H,29,1.41,s,
H,30,,,
H,31,7.35,ddd,"7.4,1.4,0.5"
H,32,7.18,td,"7.4,1.4"
H,33,7.44,ddd,"7.4,6.6,1.4"
H,34,7.64,ddd,"6.6,1.4,0.5"
H,35,1.13,s,
H,36,1.13,s,
H,37,1.13,s,
H,38,1.72,ddd,"12.4,9.5,9.0"
H,39,1.72,ddd,"12.4,9.4,1.3"
H,40,2.05,ddt,"12.4,9.0,1.3"
H,41,2.05,m,
H,42,1.75,m,
H,43,1.66,ddd,"12.4,5.1,0.7"
H,44,1.66,ddd,"12.4,4.5,3.0"
H,45,2.7,dd,"4.5,0.7"
