C,1,15.1,s,
S,2,,,
C,3,80.76,s,
C,4,61.05,s,
O,5,,,
N,6,,,
C,7,162.36,s,
O,8,,,
C,9,80.76,s,
C,10,35.07,s,
C,11,108.3,s,
C,12,125.4,s,
N,13,,,
C,14,136.4,s,
C,15,111.5,s,
C,16,121.51,s,
C,17,120.3,s,
C,18,119.1,s,
C,19,128.3,s,
S,20,,,
C,21,15.1,s,
N,22,,,
C,23,162.36,s,
O,24,,,
H,25,1.74,s,
H,26,1.74,s,
H,27,1.74,s,
H,28,4.1,s,
H,29,4.1,s,
H,30,,,
H,31,,,
H,32,2.05,s,
H,33,2.05,s,
H,34,7.12,d,0.5
H,35,,,
H,36,7.34,ddd,"7.0,1.4,0.5"
H,37,7.14,ddd,"7.2,7.0,1.4"
H,38,7.01,ddd,"7.3,7.2,1.4"
H,39,7.57,ddt,"7.3,1.4,0.5"
H,40,1.74,s,
H,41,1.74,s,
H,42,1.74,s,
H,43,,,
