C,1,56.79,s,
O,2,,,
C,3,152.3,s,
C,4,118.4,s,
C,5,118.1,s,
C,6,141.1,s,
C,7,119.3,s,
C,8,147.6,s,
O,9,,,
C,10,62.2,s,
C,11,168.0,s,
O,12,,,
O,13,,,
C,14,81.8,s,
C,15,66.2,s,
C,16,130.0,s,
C,17,107.4,s,
C,18,145.8,s,
C,19,145.8,s,
C,20,108.2,s,
C,21,125.3,s,
C,22,29.2,s,
C,23,50.4,s,
N,24,,,
C,25,45.0,s,
O,26,,,
C,27,100.8,s,
O,28,,,
H,29,3.87,s,
H,30,3.87,s,
H,31,3.87,s,
H,32,7.14,d,6.8
H,33,7.22,d,6.8
H,34,3.82,s,
H,35,3.82,s,
H,36,3.82,s,
H,37,5.11,d,5.3
H,38,4.28,d,5.3
H,39,6.64,d,0.5
H,40,6.57,d,0.5
H,41,2.85,ddd,"15.4,6.9,1.9"
H,42,2.85,ddd,"15.4,12.2,6.6"
H,43,2.78,ddd,"12.4,12.2,6.9"
H,44,2.78,ddd,"12.4,6.6,1.9"
H,45,2.35,s,
H,46,2.35,s,
H,47,2.35,s,
H,48,5.88,s,
H,49,5.88,s,
