C,1,16.5,s,
C,2,38.14,s,
C,3,42.19,s,
C,4,61.74,s,
C,5,132.07,s,
C,6,126.29,s,
C,7,26.33,s,
C,8,77.06,s,
O,9,,,
C,10,175.75,s,
O,11,,,
C,12,51.46,s,
C,13,24.6,s,
C,14,20.7,s,
C,15,48.23,s,
N,16,,,
C,17,50.97,s,
C,18,127.92,s,
C,19,132.53,s,
H,20,1.17,d,6.7
H,21,1.17,d,6.7
H,22,1.17,d,6.7
H,23,2.41,ddq,"7.9,7.6,6.7"
H,24,2.02,dd,"12.4,7.9"
H,25,2.02,dd,"12.4,7.6"
H,26,5.54,dd,"4.5,3.2"
H,27,2.41,dt,"15.4,4.5"
H,28,2.41,ddd,"15.4,13.0,3.2"
H,29,4.88,ddd,"13.0,4.5,2.5"
H,30,2.93,ddd,"11.5,4.2,2.5"
H,31,1.58,m,
H,32,1.58,m,
H,33,1.56,m,
H,34,1.56,m,
H,35,2.9,ddd,"12.4,9.1,1.9"
H,36,2.9,ddd,"12.4,9.4,8.6"
H,37,4.04,dd,"15.4,3.4"
H,38,4.04,dd,"15.4,4.5"
H,39,5.89,ddd,"11.4,4.5,3.4"
H,40,6.9,d,11.4
