C,1,55.32,s,
O,2,,,
C,3,159.3,s,
C,4,114.2,s,
C,5,132.0,s,
C,6,130.5,s,
C,7,121.9,s,
C,8,132.1,s,
N,9,,,
C,10,162.1,s,
S,11,,,
C,12,15.2,s,
S,13,,,
C,14,15.2,s,
C,15,132.0,s,
C,16,114.2,s,
H,17,3.76,s,
H,18,3.76,s,
H,19,3.76,s,
H,20,6.95,ddd,"9.2,1.9,0.5"
H,21,7.31,ddd,"9.2,1.9,0.5"
H,22,5.91,d,14.0
H,23,6.9,d,14.0
H,24,2.58,s,
H,25,2.58,s,
H,26,2.58,s,
H,27,2.58,s,
H,28,2.58,s,
H,29,2.58,s,
H,30,7.31,ddd,"8.3,1.9,0.5"
H,31,6.95,ddd,"8.3,1.9,0.5"
