C,1,55.32,s,
O,2,,,
C,3,158.8,s,
C,4,114.0,s,
C,5,130.4,s,
C,6,125.4,s,
C,7,41.22,s,
C,8,171.14,s,
O,9,,,
O,10,,,
C,11,66.89,s,
C,12,33.7,s,
C,13,65.5,s,
C,14,34.7,s,
C,15,75.1,s,
O,16,,,
C,17,63.83,s,
C,18,29.87,s,
N,19,,,
C,20,39.2,s,
C,21,130.4,s,
C,22,114.0,s,
H,23,3.76,s,
H,24,3.76,s,
H,25,3.76,s,
H,26,6.81,ddd,"7.5,1.9,0.5"
H,27,6.92,ddd,"7.5,1.9,0.5"
H,28,3.58,s,
H,29,3.58,s,
H,30,5.05,m,
H,31,2.13,ddd,"12.4,7.3,2.4"
H,32,2.13,ddd,"12.4,9.7,2.7"
H,33,2.8,m,
H,34,1.9,ddd,"12.4,9.6,9.1"
H,35,1.9,ddd,"12.4,4.6,1.9"
H,36,4.5,ddd,"9.6,5.7,4.6"
H,37,,,
H,38,2.8,td,"5.7,2.2"
H,39,2.25,ddd,"12.4,8.0,5.7"
H,40,2.25,ddd,"12.4,8.5,2.2"
H,41,2.59,s,
H,42,2.59,s,
H,43,2.59,s,
H,44,6.92,ddd,"7.2,1.9,0.5"
H,45,6.81,ddd,"7.2,1.9,0.5"
