C,1,126.2,s,
C,2,142.7,s,
C,3,171.3,s,
O,4,,,
O,5,,,
C,6,34.4,s,
C,7,31.35,s,
C,8,123.49,s,
C,9,131.74,s,
C,10,18.42,s,
C,11,40.7,s,
C,12,74.32,s,
O,13,,,
C,14,170.21,s,
C,15,21.12,s,
O,16,,,
C,17,130.07,s,
C,18,140.16,s,
C,19,18.2,s,
C,20,38.81,s,
C,21,29.4,s,
H,22,5.94,s,
H,23,5.94,s,
H,24,,,
H,25,2.83,m,
H,26,2.25,ddd,"15.4,8.2,5.8"
H,27,2.25,ddd,"15.4,10.1,8.0"
H,28,5.45,dd,"8.0,5.8"
H,29,1.59,s,
H,30,1.59,s,
H,31,1.59,s,
H,32,2.9,dd,"15.4,0.8"
H,33,2.9,dd,"15.4,9.5"
H,34,5.69,ddd,"9.5,8.6,0.8"
H,35,2.06,s,
H,36,2.06,s,
H,37,2.06,s,
H,38,5.21,d,8.6
H,39,1.88,s,
H,40,1.88,s,
H,41,1.88,s,
H,42,2.11,ddd,"15.4,11.9,2.7"
H,43,2.11,ddd,"15.4,12.0,5.0"
H,44,1.58,m,
H,45,1.58,m,
