C,1,50.87,s,
O,2,,,
C,3,92.26,s,
C,4,30.5,s,
C,5,136.78,s,
C,6,126.82,s,
C,7,115.01,s,
C,8,161.0,s,
O,9,,,
C,10,65.38,s,
C,11,119.57,s,
C,12,138.93,s,
C,13,22.13,s,
C,14,22.13,s,
C,15,115.01,s,
C,16,126.82,s,
N,17,,,
C,18,167.36,s,
O,19,,,
C,20,57.3,s,
S,21,,,
C,22,15.8,s,
N,23,,,
C,24,168.9,s,
O,25,,,
H,26,3.29,s,
H,27,3.29,s,
H,28,3.29,s,
H,29,2.05,s,
H,30,2.05,s,
H,31,6.92,ddd,"8.0,1.9,0.5"
H,32,6.85,ddd,"8.0,1.9,0.5"
H,33,4.57,d,7.0
H,34,4.57,d,7.0
H,35,5.6,t,7.0
H,36,1.77,s,
H,37,1.77,s,
H,38,1.77,s,
H,39,1.77,s,
H,40,1.77,s,
H,41,1.77,s,
H,42,6.85,ddd,"9.6,1.9,0.5"
H,43,6.92,ddd,"9.6,1.9,0.5"
H,44,8.52,s,
H,45,5.53,d,7.0
H,46,2.09,s,
H,47,2.09,s,
H,48,2.09,s,
H,49,7.97,d,7.0
