C,1,18.8,s,
C,2,34.5,s,
C,3,81.4,s,
O,4,,,
C,5,170.8,s,
C,6,118.2,s,
C,7,175.7,s,
O,8,,,
C,9,184.2,s,
O,10,,,
C,11,128.3,s,
C,12,126.2,s,
C,13,122.5,s,
C,14,125.37,s,
C,15,146.19,s,
C,16,143.7,s,
C,17,31.8,s,
C,18,19.77,s,
C,19,35.28,s,
C,20,41.86,s,
C,21,23.79,s,
C,22,,,
O,23,,,
H,24,1.26,d,6.7
H,25,1.26,d,6.7
H,26,1.26,d,6.7
H,27,3.4,ddq,"10.0,8.3,6.7"
H,28,4.04,dd,"10.0,6.4"
H,29,4.04,dd,"8.3,6.4"
H,30,7.56,s,
H,31,7.56,s,
H,32,2.37,ddd,"15.4,11.0,1.5"
H,33,2.37,ddd,"15.4,10.6,8.9"
H,34,1.98,m,
H,35,1.98,m,
H,36,1.72,ddd,"12.4,12.0,6.1"
H,37,1.72,ddd,"12.4,6.0,2.7"
H,38,1.13,s,
H,39,1.13,s,
H,40,1.13,s,
H,41,9.63,s,
