C,1,18.8,s,
C,2,27.5,s,
C,3,18.8,s,
C,4,44.2,s,
C,5,28.16,s,
C,6,33.77,s,
C,7,43.99,s,
C,8,17.82,s,
C,9,50.54,s,
C,10,29.2,s,
C,11,32.56,s,
C,12,49.58,s,
C,13,15.88,s,
C,14,77.41,s,
O,15,,,
C,16,38.52,s,
H,17,0.91,d,6.4
H,18,0.91,d,6.4
H,19,0.91,d,6.4
H,20,1.69,m,"6.4,5.4"
H,21,0.91,d,6.4
H,22,0.91,d,6.4
H,23,0.91,d,6.4
H,24,1.88,m,
H,25,1.7,m,
H,26,1.7,m,
H,27,1.59,ddd,"12.4,9.5,1.2"
H,28,1.59,ddd,"12.4,9.6,9.4"
H,29,1.02,s,
H,30,1.02,s,
H,31,1.02,s,
H,32,1.61,ddd,"7.4,0.4,0.3"
H,33,1.57,m,
H,34,1.57,m,
H,35,1.35,ddd,"12.4,10.8,7.0"
H,36,1.35,ddd,"12.4,11.7,3.2"
H,37,0.88,s,
H,38,0.88,s,
H,39,0.88,s,
H,40,4.39,d,0.7
H,41,,,
H,42,2.4,ddd,"3.5,0.7,0.4"
