C,1,50.95,s,
O,2,,,
C,3,167.8,s,
O,4,,,
C,5,89.6,s,
C,6,167.77,s,
N,7,,,
C,8,144.53,s,
C,9,110.57,s,
C,10,128.5,s,
C,11,121.8,s,
C,12,121.9,s,
C,13,138.17,s,
C,14,57.5,s,
C,15,46.0,s,
C,16,51.95,s,
N,17,,,
C,18,55.9,s,
C,19,56.45,s,
O,20,,,
C,21,55.77,s,
C,22,41.18,s,
C,23,33.14,s,
C,24,61.05,s,
H,25,3.75,s,
H,26,3.75,s,
H,27,3.75,s,
H,28,,,
H,29,6.85,ddd,"7.4,1.4,0.5"
H,30,7.13,ddd,"7.4,7.0,1.4"
H,31,6.86,ddd,"7.7,7.0,1.4"
H,32,7.22,ddd,"7.7,1.4,0.5"
H,33,1.78,ddd,"12.4,11.2,3.3"
H,34,1.78,ddd,"12.4,11.1,9.5"
H,35,3.04,ddd,"11.2,9.5,9.4"
H,36,3.04,ddd,"11.1,9.4,3.3"
H,37,3.69,dd,"12.4,8.9"
H,38,3.69,dd,"12.4,5.2"
H,39,4.52,ddd,"8.9,6.0,5.2"
H,40,3.37,dd,"6.0,2.4"
H,41,1.13,m,
H,42,2.44,dd,"15.4,10.0"
H,43,2.44,dd,"15.4,2.2"
H,44,3.54,d,8.6
