C,1,8.66,s,
C,2,29.54,s,
C,3,41.86,s,
C,4,144.6,s,
C,5,124.8,s,
C,6,43.3,s,
N,7,,,
C,8,49.8,s,
C,9,18.46,s,
C,10,104.7,s,
C,11,136.6,s,
N,12,,,
C,13,137.9,s,
C,14,111.85,s,
C,15,121.55,s,
C,16,120.15,s,
C,17,118.22,s,
C,18,128.11,s,
C,19,78.55,s,
O,20,,,
C,21,39.63,s,
C,22,58.84,s,
H,23,0.77,t,7.1
H,24,0.77,t,7.1
H,25,0.77,t,7.1
H,26,1.63,q,7.1
H,27,1.63,q,7.1
H,28,6.3,d,11.0
H,29,5.59,ddd,"11.0,5.9,2.6"
H,30,4.04,dd,"15.4,2.6"
H,31,4.04,dd,"15.4,5.9"
H,32,3.29,ddd,"12.4,12.1,5.8"
H,33,3.29,ddd,"12.4,5.9,2.4"
H,34,2.83,ddd,"15.4,12.1,5.9"
H,35,2.83,ddd,"15.4,5.8,2.4"
H,36,7.3,ddd,"6.3,1.4,0.5"
H,37,7.3,ddd,"8.0,6.3,1.4"
H,38,7.2,ddd,"8.0,7.5,1.4"
H,39,7.5,ddd,"7.5,1.4,0.5"
H,40,6.01,dd,"12.2,4.6"
H,41,,,
H,42,2.05,dd,"12.4,12.2"
H,43,2.05,dd,"12.4,4.6"
H,44,4.1,s,
