C,1,20.25,s,
C,2,29.5,s,
C,3,20.25,s,
C,4,45.18,s,
C,5,82.0,s,
O,6,,,
C,7,172.96,s,
O,8,,,
C,9,48.5,s,
C,10,50.54,s,
C,11,26.26,s,
C,12,28.16,s,
C,13,50.07,s,
C,14,49.88,s,
N,15,,,
C,16,57.53,s,
C,17,41.86,s,
C,18,23.79,s,
H,19,0.88,d,6.4
H,20,0.88,d,6.4
H,21,0.88,d,6.4
H,22,1.87,m,"6.4,5.5"
H,23,0.88,d,6.4
H,24,0.88,d,6.4
H,25,0.88,d,6.4
H,26,2.77,dd,"9.7,5.5"
H,27,5.47,d,9.4
H,28,2.83,dd,"17.9,9.7"
H,29,1.61,ddd,"17.9,17.3,9.3"
H,30,1.48,m,
H,31,1.48,m,
H,32,1.58,m,
H,33,1.58,tdd,"12.4,8.3,0.4"
H,34,2.24,m,
H,35,3.21,dd,"19.7,9.4"
H,36,3.21,dd,"11.8,9.4"
H,37,,,
H,38,4.28,d,9.4
H,39,1.13,s,
H,40,1.13,s,
H,41,1.13,s,
