C,1,18.63,s,
C,2,26.77,s,
C,3,18.63,s,
C,4,59.11,s,
C,5,169.03,s,
O,6,,,
N,7,,,
C,8,50.2,s,
C,9,66.1,s,
O,10,,,
C,11,26.8,s,
C,12,45.9,s,
C,13,181.3,s,
O,14,,,
N,15,,,
C,16,142.9,s,
C,17,115.48,s,
C,18,130.32,s,
C,19,116.11,s,
C,20,142.35,s,
C,21,130.1,s,
N,22,,,
C,23,35.85,s,
H,24,0.83,d,6.4
H,25,0.83,d,6.4
H,26,0.83,d,6.4
H,27,2.37,m,"6.4,5.3"
H,28,0.83,d,6.4
H,29,0.83,d,6.4
H,30,0.83,d,6.4
H,31,5.05,d,5.3
H,32,7.4,d,7.0
H,33,3.53,m,
H,34,3.6,d,5.6
H,35,3.6,d,5.6
H,36,,,
H,37,1.85,ddd,"12.4,8.1,4.5"
H,38,1.85,ddd,"12.4,2.9,0.3"
H,39,2.83,dd,"4.5,2.9"
H,40,9.48,s,
H,41,7.15,dd,"7.9,1.4"
H,42,7.2,dd,"9.2,7.9"
H,43,7.32,dd,"9.2,1.4"
H,44,3.18,s,
H,45,3.18,s,
H,46,3.18,s,
