C,1,16.1,s,
C,2,74.6,s,
O,3,,,
C,4,171.34,s,
O,5,,,
C,6,38.9,s,
C,7,72.7,s,
C,8,20.86,s,
O,9,,,
C,10,169.25,s,
O,11,,,
C,12,120.55,s,
C,13,133.32,s,
C,14,72.52,s,
O,15,,,
C,16,74.68,s,
C,17,15.84,s,
O,18,,,
C,19,173.55,s,
O,20,,,
C,21,27.73,s,
C,22,37.64,s,
C,23,,,
O,24,,,
H,25,1.26,d,6.3
H,26,1.26,d,6.3
H,27,1.26,d,6.3
H,28,4.13,q,6.3
H,29,2.64,dd,"15.4,11.1"
H,30,2.64,dd,"15.4,5.8"
H,31,5.28,dqd,"11.1,6.1,5.8"
H,32,1.27,d,6.1
H,33,1.27,d,6.1
H,34,1.27,d,6.1
H,35,5.97,d,12.0
H,36,6.14,dd,"12.0,2.8"
H,37,3.94,dd,"7.3,2.8"
H,38,,,
H,39,4.81,dq,"7.3,6.2"
H,40,1.1,d,6.2
H,41,1.1,d,6.2
H,42,1.1,d,6.2
H,43,2.73,ddd,"15.4,12.2,8.9"
H,44,2.73,ddd,"15.4,10.4,1.1"
H,45,2.2,ddd,"15.4,12.2,1.1"
H,46,2.2,ddd,"15.4,10.4,8.9"
