C,1,15.61,s,
C,2,139.01,s,
C,3,127.36,s,
C,4,18.81,s,
C,5,167.45,s,
O,6,,,
O,7,,,
C,8,66.91,s,
C,9,27.2,s,
C,10,62.7,s,
C,11,79.1,s,
O,12,,,
C,13,173.61,s,
O,14,,,
C,15,27.6,s,
C,16,9.19,s,
C,17,75.4,s,
O,18,,,
C,19,66.1,s,
C,20,27.0,s,
N,21,,,
C,22,35.2,s,
H,23,1.9,d,7.0
H,24,1.9,d,7.0
H,25,1.9,d,7.0
H,26,6.46,q,7.0
H,27,1.87,s,
H,28,1.87,s,
H,29,1.87,s,
H,30,5.14,tdd,"9.3,6.0,5.8"
H,31,2.34,ddd,"12.4,5.8,5.5"
H,32,2.34,ddd,"12.4,9.3,1.4"
H,33,3.43,dt,"5.5,1.4"
H,34,5.8,dd,"7.3,1.4"
H,35,2.38,q,7.2
H,36,2.38,q,7.2
H,37,1.15,t,7.2
H,38,1.15,t,7.2
H,39,1.15,t,7.2
H,40,4.8,d,7.3
H,41,,,
H,42,3.2,dd,"6.6,1.6"
H,43,2.29,ddd,"12.4,9.3,1.6"
H,44,2.29,ddd,"12.4,6.6,6.0"
H,45,2.63,s,
H,46,2.63,s,
H,47,2.63,s,
