C,1,12.72,s,
C,2,118.86,s,
C,3,140.39,s,
C,4,52.94,s,
N,5,,,
C,6,51.67,s,
C,7,18.46,s,
C,8,108.32,s,
C,9,133.78,s,
N,10,,,
C,11,135.03,s,
C,12,111.31,s,
C,13,120.4,s,
C,14,121.86,s,
C,15,118.55,s,
C,16,128.9,s,
C,17,92.26,s,
O,18,,,
C,19,50.87,s,
C,20,168.12,s,
O,21,,,
O,22,,,
C,23,53.89,s,
C,24,44.5,s,
C,25,36.24,s,
C,26,57.96,s,
H,27,1.67,d,7.0
H,28,1.67,d,7.0
H,29,1.67,d,7.0
H,30,5.45,q,7.0
H,31,3.31,s,
H,32,3.31,s,
H,33,3.04,ddd,"12.4,11.0,8.3"
H,34,3.04,ddd,"12.4,9.4,1.2"
H,35,2.83,ddd,"15.4,11.0,9.4"
H,36,2.83,ddd,"15.4,8.3,1.2"
H,37,7.04,ddd,"7.2,1.4,0.5"
H,38,7.14,ddd,"8.0,7.2,1.4"
H,39,7.2,ddd,"8.0,6.5,1.4"
H,40,7.49,ddd,"6.5,1.4,0.5"
H,41,3.29,s,
H,42,3.29,s,
H,43,3.29,s,
H,44,3.92,s,
H,45,3.92,s,
H,46,3.92,s,
H,47,2.83,dd,"3.2,3.1"
H,48,1.87,ddd,"12.4,3.2,0.9"
H,49,1.87,ddd,"12.4,5.4,3.1"
H,50,5.19,dd,"5.4,0.9"
