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,9,108.8,s,
C,10,143.45,s,
N,11,,,
C,12,136.33,s,
C,13,111.1,s,
C,14,122.04,s,
C,15,119.33,s,
C,16,118.35,s,
C,17,127.08,s,
C,18,70.2,s,
O,19,,,
C,20,35.12,s,
C,21,42.38,s,
C,22,40.4,s,
C,23,172.96,s,
O,24,,,
O,25,,,
C,26,52.08,s,
H,27,1.65,d,7.0
H,28,1.65,d,7.0
H,29,1.65,d,7.0
H,30,5.45,q,7.0
H,31,3.77,s,
H,32,3.77,s,
H,33,2.61,s,
H,34,2.61,s,
H,35,2.61,s,
H,36,4.0,ddd,"12.2,4.7,3.0"
H,37,3.21,dd,"15.4,4.7"
H,38,3.21,dd,"15.4,12.2"
H,39,,,
H,40,7.35,ddd,"8.4,1.4,0.5"
H,41,7.18,ddd,"8.4,7.9,1.4"
H,42,7.13,ddd,"7.9,6.9,1.4"
H,43,7.52,ddd,"6.9,1.4,0.5"
H,44,4.52,dd,"5.1,4.8"
H,45,,,
H,46,1.88,ddd,"12.4,4.8,4.1"
H,47,1.88,ddd,"12.4,5.1,4.7"
H,48,2.99,ddd,"7.2,4.7,4.1"
H,49,2.74,dd,"7.2,3.0"
H,50,2.47,s,
H,51,2.47,s,
H,52,2.47,s,
