C,1,16.3,s,
C,2,50.4,s,
C,3,,,
O,4,,,
C,5,127.9,s,
C,6,140.0,s,
C,7,42.38,s,
C,8,42.11,s,
C,9,35.48,s,
C,10,28.33,s,
C,11,28.33,s,
C,12,42.11,s,
C,13,48.53,s,
C,14,73.14,s,
C,15,27.64,s,
C,16,27.64,s,
O,17,,,
H,18,1.09,d,6.7
H,19,1.09,d,6.7
H,20,1.09,d,6.7
H,21,2.78,m,6.7
H,22,6.22,s,
H,23,2.99,ddd,"12.7,6.7,4.0"
H,24,2.04,dd,"12.7,12.4"
H,25,2.04,dd,"12.4,4.0"
H,26,1.02,s,
H,27,1.02,s,
H,28,1.02,s,
H,29,1.02,s,
H,30,1.02,s,
H,31,1.02,s,
H,32,2.04,dd,"12.4,2.8"
H,33,2.04,dd,"12.8,12.4"
H,34,3.2,dd,"12.8,2.8"
H,35,1.3,s,
H,36,1.3,s,
H,37,1.3,s,
H,38,1.3,s,
H,39,1.3,s,
H,40,1.3,s,
H,41,,,
