C,1,16.39,s,
C,2,37.31,s,
C,3,35.12,s,
C,4,71.11,s,
O,5,,,
C,6,43.71,s,
C,7,11.55,s,
C,8,41.86,s,
C,9,26.18,s,
C,10,26.18,s,
C,11,41.86,s,
C,12,23.79,s,
C,13,62.84,s,
Br,14,,,
C,15,42.67,s,
C,16,43.99,s,
C,17,17.82,s,
H,18,0.92,d,6.6
H,19,0.92,d,6.6
H,20,0.92,d,6.6
H,21,1.82,dqd,"10.7,6.6,4.4"
H,22,1.88,ddd,"12.4,10.7,4.0"
H,23,1.88,ddd,"12.4,11.7,4.4"
H,24,4.19,ddd,"11.7,8.9,4.0"
H,25,,,
H,26,1.95,dq,"8.9,6.7"
H,27,1.06,d,6.7
H,28,1.06,d,6.7
H,29,1.06,d,6.7
H,30,1.64,ddd,"12.4,10.5,4.6"
H,31,1.64,ddd,"12.4,11.3,5.0"
H,32,1.64,ddd,"12.4,11.3,4.6"
H,33,1.64,ddd,"12.4,10.5,5.0"
H,34,1.13,s,
H,35,1.13,s,
H,36,1.13,s,
H,37,4.32,dd,"7.9,1.0"
H,38,2.05,dd,"12.4,1.0"
H,39,2.05,dd,"12.4,7.9"
H,40,1.02,s,
H,41,1.02,s,
H,42,1.02,s,
