C,1,112.49,s,
C,2,145.56,s,
C,3,41.86,s,
C,4,23.79,s,
C,5,71.43,s,
Cl,6,,,
C,7,42.07,s,
C,8,47.74,s,
C,9,132.07,s,
C,10,132.07,s,
C,11,164.9,s,
O,12,,,
N,13,,,
C,14,145.91,s,
C,15,124.0,s,
C,16,128.11,s,
C,17,123.73,s,
C,18,146.19,s,
C,19,116.9,s,
C,20,39.33,s,
C,21,27.2,s,
C,22,27.2,s,
C,23,57.53,s,
N,24,,,
C,25,134.46,s,
S,26,,,
H,27,4.9,dd,"12.0,2.5"
H,28,4.9,dd,"16.0,2.5"
H,29,5.85,dd,"16.0,12.0"
H,30,1.13,s,
H,31,1.13,s,
H,32,1.13,s,
H,33,4.51,dd,"7.9,1.3"
H,34,2.32,ddd,"12.4,10.8,1.3"
H,35,2.32,ddd,"12.4,9.2,7.9"
H,36,2.94,dd,"10.8,9.2"
H,37,,,
H,38,7.48,dd,"8.0,1.4"
H,39,7.19,dd,"8.0,6.9"
H,40,7.11,dd,"6.9,1.4"
H,41,1.28,s,
H,42,1.28,s,
H,43,1.28,s,
H,44,1.28,s,
H,45,1.28,s,
H,46,1.28,s,
H,47,4.28,s,
