C,1,21.87,s,
C,2,30.97,s,
C,3,21.87,s,
C,4,46.95,s,
C,5,21.05,s,
C,6,39.84,s,
C,7,83.54,s,
C,8,23.46,s,
O,9,,,
C,10,99.28,s,
O,11,,,
C,12,105.73,s,
C,13,24.38,s,
C,14,33.56,s,
C,15,28.16,s,
C,16,40.4,s,
C,17,79.9,s,
O,18,,,
H,19,0.88,d,6.4
H,20,0.88,d,6.4
H,21,0.88,d,6.4
H,22,1.87,m,"6.4,5.5"
H,23,0.88,d,6.4
H,24,0.88,d,6.4
H,25,0.88,d,6.4
H,26,2.13,ddd,"9.1,5.5,1.3"
H,27,1.95,m,
H,28,1.95,m,
H,29,1.84,ddd,"12.4,7.8,1.7"
H,30,1.84,ddd,"12.4,11.9,7.4"
H,31,1.38,s,
H,32,1.38,s,
H,33,1.38,s,
H,34,5.59,s,
H,35,1.38,s,
H,36,1.38,s,
H,37,1.38,s,
H,38,2.02,ddd,"12.4,8.7,1.0"
H,39,2.02,ddd,"12.4,12.3,7.2"
H,40,1.58,m,
H,41,1.58,m,
H,42,3.58,dd,"10.4,5.5"
