C,1,17.9,s,
C,2,51.2,s,
N,3,,,
C,4,41.67,s,
C,5,22.28,s,
C,6,108.26,s,
C,7,131.4,s,
N,8,,,
C,9,136.33,s,
C,10,112.23,s,
C,11,114.39,s,
C,12,152.94,s,
O,13,,,
C,14,107.86,s,
C,15,128.2,s,
H,16,1.68,d,6.4
H,17,1.68,d,6.4
H,18,1.68,d,6.4
H,19,5.3,q,6.4
H,20,,,
H,21,3.09,ddd,"12.4,11.8,7.0"
H,22,3.09,ddd,"12.4,7.6,0.6"
H,23,2.9,ddd,"15.4,7.0,0.6"
H,24,2.9,ddd,"15.4,11.8,7.6"
H,25,,,
H,26,7.5,dd,"6.3,0.5"
H,27,7.23,dd,"6.3,1.9"
H,28,,,
H,29,7.48,dd,"1.9,0.5"
