C,1,18.92,s,
C,2,38.08,s,
C,3,68.43,s,
O,4,,,
C,5,128.32,s,
C,6,126.1,s,
C,7,138.21,s,
C,8,125.03,s,
C,9,135.5,s,
O,10,,,
C,11,139.35,s,
O,12,,,
C,13,41.32,s,
C,14,76.5,s,
O,15,,,
C,16,36.3,s,
C,17,24.84,s,
C,18,31.2,s,
C,19,32.0,s,
C,20,28.65,s,
C,21,28.65,s,
C,22,52.87,s,
C,23,28.16,s,
C,24,36.33,s,
H,25,1.23,d,6.6
H,26,1.23,d,6.6
H,27,1.23,d,6.6
H,28,3.68,qt,"6.6,5.8"
H,29,3.67,d,5.8
H,30,3.67,d,5.8
H,31,,,
H,32,6.3,s,
H,33,,,
H,34,,,
H,35,3.29,s,
H,36,3.29,s,
H,37,,,
H,38,1.9,ddd,"12.7,12.4,5.1"
H,39,1.9,ddd,"12.4,5.6,1.6"
H,40,1.42,m,
H,41,1.42,m,
H,42,1.28,ddd,"12.4,12.1,6.6"
H,43,1.28,ddd,"12.4,6.8,2.2"
H,44,1.0,s,
H,45,1.0,s,
H,46,1.0,s,
H,47,1.0,s,
H,48,1.0,s,
H,49,1.0,s,
H,50,2.29,dd,"9.1,1.1"
H,51,1.58,m,
H,52,1.58,m,
H,53,2.66,ddd,"13.4,7.5,1.1"
H,54,2.66,ddd,"13.4,12.3,1.8"
