C,1,21.01,s,
C,2,31.42,s,
C,3,39.5,s,
C,4,43.45,s,
C,5,43.37,s,
C,6,,,
O,7,,,
C,8,57.29,s,
C,9,35.12,s,
C,10,69.32,s,
O,11,,,
C,12,55.9,s,
N,13,,,
C,14,141.66,s,
C,15,108.99,s,
C,16,38.16,s,
C,17,41.86,s,
C,18,92.26,s,
O,19,,,
C,20,30.5,s,
H,21,0.89,d,6.4
H,22,0.89,d,6.4
H,23,0.89,d,6.4
H,24,1.58,m,
H,25,1.89,ddd,"12.4,6.5,1.4"
H,26,1.89,ddd,"12.4,10.4,8.8"
H,27,1.61,m,
H,28,2.74,dd,"18.4,11.1"
H,29,2.74,dd,"18.4,5.1"
H,30,2.69,dd,"6.4,2.4"
H,31,1.88,ddd,"12.4,10.0,2.4"
H,32,1.88,ddd,"12.4,6.4,0.6"
H,33,4.11,m,
H,34,,,
H,35,3.69,dd,"13.4,9.5"
H,36,3.69,dd,"13.4,7.6"
H,37,7.69,s,
H,38,5.21,dd,"4.9,3.1"
H,39,2.22,dd,"15.4,3.1"
H,40,2.22,dd,"15.4,4.9"
H,41,,,
H,42,2.05,dd,"12.4,4.5"
H,43,2.05,dd,"12.4,12.2"
