C,1,18.01,s,
C,2,74.43,s,
O,3,,,
C,4,41.86,s,
C,5,35.28,s,
C,6,20.97,s,
C,7,53.21,s,
N,8,,,
C,9,51.11,s,
C,10,18.46,s,
C,11,104.7,s,
C,12,136.6,s,
N,13,,,
C,14,137.9,s,
C,15,111.85,s,
C,16,121.55,s,
C,17,120.15,s,
C,18,118.22,s,
C,19,128.11,s,
C,20,78.55,s,
O,21,,,
C,22,39.63,s,
C,23,58.84,s,
H,24,1.11,d,6.2
H,25,1.11,d,6.2
H,26,1.11,d,6.2
H,27,4.52,q,6.2
H,28,,,
H,29,1.72,ddd,"12.4,9.6,1.4"
H,30,1.72,ddd,"12.4,9.6,8.7"
H,31,1.61,m,
H,32,1.61,m,
H,33,2.66,ddd,"12.4,9.4,7.3"
H,34,2.66,ddd,"12.4,10.2,1.9"
H,35,3.29,ddd,"12.4,9.2,1.2"
H,36,3.29,ddd,"12.4,9.2,9.1"
H,37,2.83,dt,"15.4,9.2"
H,38,2.83,ddd,"15.4,9.1,1.2"
H,39,7.3,ddd,"7.6,1.4,0.5"
H,40,7.3,ddd,"8.4,7.6,1.4"
H,41,7.2,ddd,"8.4,6.7,1.4"
H,42,7.5,ddd,"6.7,1.4,0.5"
H,43,6.01,dd,"10.5,1.5"
H,44,,,
H,45,2.05,dd,"12.4,10.5"
H,46,2.05,dd,"12.4,1.5"
H,47,4.1,s,
