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,9,37.9,s,
C,10,36.24,s,
C,11,53.4,s,
C,12,139.3,s,
N,13,,,
C,14,137.8,s,
C,15,111.9,s,
C,16,121.27,s,
C,17,119.22,s,
C,18,118.5,s,
C,19,128.5,s,
C,20,105.0,s,
C,21,27.4,s,
C,22,62.1,s,
N,23,,,
H,24,1.5,d,6.3
H,25,1.5,d,6.3
H,26,1.5,d,6.3
H,27,2.78,dq,"8.8,6.3"
H,28,2.27,m,
H,29,4.04,dd,"9.4,2.8"
H,30,4.04,dd,"9.8,9.4"
H,31,5.2,d,3.7
H,32,,,
H,33,3.04,ddd,"3.7,3.3,2.8"
H,34,1.59,dtd,"3.9,2.8,2.6"
H,35,1.87,ddd,"12.4,10.5,2.8"
H,36,1.87,ddd,"12.4,3.1,2.6"
H,37,4.47,dd,"10.5,3.1"
H,38,,,
H,39,7.32,ddd,"7.5,1.4,0.5"
H,40,7.18,ddd,"8.4,7.5,1.4"
H,41,7.13,ddd,"8.4,7.1,1.4"
H,42,7.53,ddd,"7.1,1.4,0.5"
H,43,3.21,dd,"15.4,1.0"
H,44,3.21,dd,"15.4,8.9"
H,45,3.6,ddd,"8.9,3.3,1.0"
