C,1,56.49,s,
O,2,,,
C,3,74.63,s,
C,4,33.8,s,
C,5,126.29,s,
C,6,147.5,s,
C,7,27.4,s,
C,8,49.76,s,
N,9,,,
C,10,49.76,s,
C,11,20.06,s,
C,12,35.22,s,
C,13,77.48,s,
C,14,66.19,s,
O,15,,,
O,16,,,
C,17,171.93,s,
O,18,,,
C,19,115.36,s,
C,20,132.07,s,
C,21,61.74,s,
C,22,43.68,s,
H,23,3.22,s,
H,24,3.22,s,
H,25,3.22,s,
H,26,4.73,m,
H,27,2.44,ddd,"15.4,5.9,2.9"
H,28,2.44,ddd,"15.4,6.1,1.5"
H,29,5.54,dd,"6.1,2.9"
H,30,2.47,ddd,"12.4,10.1,9.3"
H,31,2.47,ddd,"12.4,8.9,1.1"
H,32,3.34,ddd,"10.1,9.4,8.9"
H,33,3.34,ddd,"9.4,9.3,1.1"
H,34,3.34,ddd,"12.4,8.8,1.6"
H,35,3.34,dd,"12.4,8.7"
H,36,1.71,m,
H,37,1.71,m,
H,38,1.9,ddd,"12.4,10.5,7.8"
H,39,1.9,ddd,"12.4,8.6,1.6"
H,40,3.92,s,
H,41,3.92,s,
H,42,,,
H,43,5.96,s,
H,44,2.42,dd,"12.4,4.9"
H,45,2.42,dd,"12.4,8.8"
