C,1,15.8,s,
S,2,,,
C,3,57.3,s,
N,4,,,
C,5,166.4,s,
O,6,,,
C,7,67.4,s,
C,8,35.07,s,
C,9,124.8,s,
C,10,126.82,s,
C,11,115.01,s,
C,12,161.0,s,
O,13,,,
C,14,65.38,s,
C,15,119.57,s,
C,16,138.93,s,
C,17,22.13,s,
C,18,22.13,s,
C,19,115.01,s,
C,20,126.82,s,
S,21,,,
C,22,14.7,s,
N,23,,,
C,24,167.36,s,
O,25,,,
H,26,2.09,s,
H,27,2.09,s,
H,28,2.09,s,
H,29,5.53,d,7.0
H,30,7.97,d,7.0
H,31,2.05,s,
H,32,2.05,s,
H,33,6.92,ddd,"6.5,1.9,0.5"
H,34,6.85,ddd,"6.5,1.9,0.5"
H,35,4.57,d,7.0
H,36,4.57,d,7.0
H,37,5.6,t,7.0
H,38,1.77,s,
H,39,1.77,s,
H,40,1.77,s,
H,41,1.77,s,
H,42,1.77,s,
H,43,1.77,s,
H,44,6.85,ddd,"8.9,1.9,0.5"
H,45,6.92,ddd,"8.9,1.9,0.5"
H,46,1.74,s,
H,47,1.74,s,
H,48,1.74,s,
H,49,7.97,s,
