C,1,15.9,s,
C,2,40.01,s,
C,3,35.12,s,
C,4,77.06,s,
O,5,,,
C,6,182.52,s,
O,7,,,
C,8,42.8,s,
C,9,24.43,s,
C,10,28.68,s,
C,11,18.54,s,
C,12,32.61,s,
C,13,43.82,s,
C,14,18.07,s,
C,15,45.16,s,
C,16,92.55,s,
C,17,35.22,s,
C,18,29.03,s,
C,19,176.21,s,
O,20,,,
O,21,,,
H,22,0.88,d,6.6
H,23,0.88,d,6.6
H,24,0.88,d,6.6
H,25,2.07,dqd,"11.9,6.6,2.0"
H,26,1.88,ddd,"12.4,11.9,11.4"
H,27,1.88,ddd,"12.4,5.5,2.0"
H,28,4.88,ddd,"11.4,7.5,5.5"
H,29,1.3,s,
H,30,1.3,s,
H,31,1.3,s,
H,32,2.02,ddd,"12.4,11.3,5.5"
H,33,2.02,ddd,"12.4,11.4,1.8"
H,34,1.58,m,
H,35,1.58,m,
H,36,1.29,ddd,"12.4,9.1,1.3"
H,37,1.29,ddd,"12.4,8.9,8.7"
H,38,1.2,s,
H,39,1.2,s,
H,40,1.2,s,
H,41,2.9,d,7.5
H,42,2.07,ddd,"12.4,11.8,4.8"
H,43,2.07,ddd,"12.4,12.2,4.7"
H,44,2.57,ddd,"18.4,11.8,4.7"
H,45,2.57,ddd,"18.4,12.2,4.8"
