C,1,15.9,s,
C,2,40.01,s,
C,3,37.39,s,
C,4,173.13,s,
O,5,,,
O,6,,,
C,7,74.77,s,
C,8,34.43,s,
C,9,53.65,s,
N,10,,,
C,11,62.9,s,
C,12,128.4,s,
C,13,131.7,s,
C,14,62.66,s,
O,15,,,
C,16,179.2,s,
O,17,,,
C,18,74.35,s,
C,19,25.14,s,
O,20,,,
C,21,75.5,s,
H,22,1.0,d,6.6
H,23,1.0,d,6.6
H,24,1.0,d,6.6
H,25,1.93,dqd,"10.0,6.6,0.6"
H,26,2.6,dd,"15.4,0.6"
H,27,2.6,dd,"15.4,10.0"
H,28,5.43,ddd,"9.7,8.7,7.8"
H,29,2.03,m,
H,30,2.03,m,
H,31,3.16,ddd,"9.4,6.1,0.8"
H,32,3.16,ddd,"12.3,9.4,6.5"
H,33,3.72,dd,"9.4,2.8"
H,34,3.72,dd,"9.4,4.0"
H,35,5.99,dd,"4.0,2.8"
H,36,4.63,s,
H,37,4.63,s,
H,38,1.47,s,
H,39,1.47,s,
H,40,1.47,s,
H,41,,,
H,42,4.38,d,8.7
