C,1,55.99,s,
O,2,,,
C,3,71.89,s,
C,4,125.15,s,
C,5,137.4,s,
C,6,51.7,s,
C,7,137.7,s,
C,8,108.1,s,
C,9,148.4,s,
C,10,147.9,s,
C,11,104.5,s,
C,12,127.1,s,
C,13,61.8,s,
N,14,,,
C,15,59.96,s,
C,16,90.85,s,
O,17,,,
C,18,170.09,s,
C,19,21.04,s,
O,20,,,
C,21,67.7,s,
C,22,30.17,s,
O,23,,,
C,24,101.55,s,
O,25,,,
H,26,3.15,s,
H,27,3.15,s,
H,28,3.15,s,
H,29,5.19,ddd,"12.1,6.3,2.7"
H,30,5.87,dd,"11.0,2.7"
H,31,6.3,d,11.0
H,32,6.57,d,0.5
H,33,6.52,d,0.5
H,34,4.14,s,
H,35,4.14,s,
H,36,3.43,dd,"9.4,7.4"
H,37,3.43,dd,"10.8,9.4"
H,38,4.59,dd,"10.8,7.4"
H,39,2.04,s,
H,40,2.04,s,
H,41,2.04,s,
H,42,3.78,dd,"11.4,2.2"
H,43,2.2,ddd,"12.4,12.1,11.4"
H,44,2.2,ddd,"12.4,6.3,2.2"
H,45,5.88,s,
H,46,5.88,s,
