C,1,22.85,s,
C,2,22.5,s,
C,3,22.85,s,
C,4,43.6,s,
C,5,172.8,s,
O,6,,,
O,7,,,
C,8,72.44,s,
C,9,41.86,s,
C,10,23.79,s,
C,11,35.28,s,
C,12,18.9,s,
C,13,35.28,s,
C,14,41.86,s,
C,15,23.79,s,
C,16,159.7,s,
C,17,131.07,s,
C,18,131.07,s,
C,19,144.88,s,
C,20,133.0,s,
C,21,146.87,s,
C,22,26.6,s,
C,23,21.42,s,
C,24,21.42,s,
C,25,180.09,s,
O,26,,,
C,27,151.34,s,
O,28,,,
C,29,118.22,s,
H,30,0.98,d,6.4
H,31,0.98,d,6.4
H,32,0.98,d,6.4
H,33,1.95,m,"6.4,6.0"
H,34,0.98,d,6.4
H,35,0.98,d,6.4
H,36,0.98,d,6.4
H,37,2.16,d,6.0
H,38,2.16,d,6.0
H,39,4.13,s,
H,40,4.13,s,
H,41,1.13,s,
H,42,1.13,s,
H,43,1.13,s,
H,44,1.72,ddd,"13.1,12.4,2.9"
H,45,1.72,ddd,"12.4,5.5,0.4"
H,46,1.63,m,
H,47,1.63,m,
H,48,2.56,ddd,"13.4,12.4,5.3"
H,49,2.56,ddd,"12.4,4.5,3.2"
H,50,1.13,s,
H,51,1.13,s,
H,52,1.13,s,
H,53,6.88,s,
H,54,6.88,s,
H,55,7.39,s,
H,56,3.03,m,6.7
H,57,1.13,d,6.7
H,58,1.13,d,6.7
H,59,1.13,d,6.7
H,60,1.13,d,6.7
H,61,1.13,d,6.7
H,62,1.13,d,6.7
H,63,,,
