C,1,18.6,s,
C,2,57.5,s,
C,3,38.77,s,
C,4,70.43,s,
O,5,,,
C,6,99.79,s,
O,7,,,
C,8,40.4,s,
C,9,62.1,s,
C,10,27.4,s,
C,11,105.63,s,
C,12,139.3,s,
N,13,,,
C,14,136.33,s,
C,15,112.23,s,
C,16,114.39,s,
C,17,152.94,s,
O,18,,,
C,19,107.86,s,
C,20,128.2,s,
C,21,53.4,s,
C,22,36.24,s,
C,23,37.9,s,
N,24,,,
H,25,1.5,d,6.3
H,26,1.5,d,6.3
H,27,1.5,d,6.3
H,28,2.78,dq,"12.5,6.3"
H,29,2.27,m,
H,30,4.04,dd,"9.4,3.7"
H,31,4.04,dd,"11.9,9.4"
H,32,5.2,d,6.4
H,33,,,
H,34,3.04,ddd,"15.4,6.4,0.9"
H,35,3.6,ddd,"17.1,15.4,9.6"
H,36,3.21,dd,"15.4,9.6"
H,37,3.21,dd,"17.1,15.4"
H,38,,,
H,39,7.5,dd,"7.5,0.5"
H,40,7.23,dd,"7.5,1.9"
H,41,,,
H,42,7.48,dd,"1.9,0.5"
H,43,4.47,dd,"9.5,2.7"
H,44,1.87,ddd,"12.4,10.7,9.5"
H,45,1.87,ddd,"17.5,12.4,2.7"
H,46,1.59,m,
