C,1,51.9,s,
O,2,,,
C,3,172.1,s,
O,4,,,
C,5,66.03,s,
C,6,137.35,s,
C,7,127.92,s,
C,8,127.81,s,
C,9,130.57,s,
C,10,128.91,s,
C,11,133.0,s,
Cl,12,,,
N,13,,,
C,14,49.76,s,
C,15,30.5,s,
C,16,133.21,s,
S,17,,,
C,18,123.0,s,
C,19,129.1,s,
C,20,138.7,s,
C,21,53.95,s,
O,22,,,
S,23,,,
O,24,,,
O,25,,,
O,26,,,
H,27,3.71,s,
H,28,3.71,s,
H,29,3.71,s,
H,30,4.56,s,
H,31,7.56,ddd,"7.1,1.4,0.5"
H,32,7.35,ddd,"8.0,7.1,1.4"
H,33,7.29,ddd,"8.3,8.0,1.4"
H,34,7.37,ddd,"8.3,1.4,0.5"
H,35,3.34,ddd,"12.4,6.3,2.1"
H,36,3.34,ddd,"13.0,12.4,6.4"
H,37,2.05,ddd,"15.4,13.0,6.3"
H,38,2.05,ddd,"15.4,6.4,2.1"
H,39,7.54,d,4.5
H,40,7.19,d,4.5
H,41,4.25,s,
H,42,4.25,s,
H,43,,,
H,44,,,
