C,1,12.85,s,
C,2,120.71,s,
C,3,142.04,s,
C,4,51.9,s,
N,5,,,
C,6,42.3,s,
C,7,62.1,s,
C,8,35.29,s,
C,9,116.11,s,
C,10,133.81,s,
N,11,,,
C,12,32.5,s,
C,13,136.35,s,
C,14,109.13,s,
C,15,121.43,s,
C,16,121.23,s,
C,17,118.19,s,
C,18,128.61,s,
C,19,189.39,s,
O,20,,,
C,21,43.37,s,
C,22,42.38,s,
C,23,40.4,s,
C,24,172.96,s,
O,25,,,
O,26,,,
C,27,52.08,s,
H,28,1.65,d,7.0
H,29,1.65,d,7.0
H,30,1.65,d,7.0
H,31,5.45,q,7.0
H,32,3.77,s,
H,33,3.77,s,
H,34,2.61,s,
H,35,2.61,s,
H,36,2.61,s,
H,37,4.0,ddd,"11.4,1.7,0.6"
H,38,3.01,dd,"15.4,11.4"
H,39,3.01,dd,"15.4,1.7"
H,40,4.26,s,
H,41,4.26,s,
H,42,4.26,s,
H,43,7.18,ddd,"8.5,1.4,0.5"
H,44,7.97,ddd,"8.5,6.5,1.4"
H,45,7.2,ddd,"7.2,6.5,1.4"
H,46,7.5,ddd,"7.2,1.4,0.5"
H,47,2.74,dd,"15.4,8.7"
H,48,2.74,dd,"15.4,8.5"
H,49,2.99,ddd,"8.7,8.5,2.5"
H,50,2.74,dd,"2.5,0.6"
H,51,2.47,s,
H,52,2.47,s,
H,53,2.47,s,
