C,1,18.38,s,
C,2,30.56,s,
C,3,18.38,s,
C,4,57.53,s,
N,5,,,
C,6,162.36,s,
O,7,,,
C,8,49.05,s,
N,9,,,
C,10,162.36,s,
O,11,,,
C,12,57.53,s,
C,13,34.51,s,
S,14,,,
C,15,158.41,s,
N,16,,,
C,17,73.63,s,
C,18,72.42,s,
C,19,25.27,s,
C,20,25.27,s,
O,21,,,
O,22,,,
C,23,174.33,s,
O,24,,,
C,25,47.84,s,
C,26,20.9,s,
C,27,20.9,s,
C,28,78.41,s,
C,29,30.57,s,
C,30,20.8,s,
C,31,49.3,s,
C,32,90.4,s,
C,33,37.2,s,
Cl,34,,,
Cl,35,,,
O,36,,,
C,37,161.1,s,
O,38,,,
C,39,147.76,s,
C,40,127.07,s,
S,41,,,
C,42,168.37,s,
N,43,,,
H,44,0.88,d,6.4
H,45,0.88,d,6.4
H,46,0.88,d,6.4
H,47,2.09,m,"6.4,5.3"
H,48,0.88,d,6.4
H,49,0.88,d,6.4
H,50,0.88,d,6.4
H,51,4.28,d,5.3
H,52,,,
H,53,4.05,s,
H,54,4.05,s,
H,55,,,
H,56,4.28,dd,"12.4,6.8"
H,57,3.23,dd,"12.4,6.8"
H,58,3.23,t,12.4
H,59,4.52,s,
H,60,1.3,s,
H,61,1.3,s,
H,62,1.3,s,
H,63,1.3,s,
H,64,1.3,s,
H,65,1.3,s,
H,66,,,
H,67,1.22,s,
H,68,1.22,s,
H,69,1.22,s,
H,70,1.22,s,
H,71,1.22,s,
H,72,1.22,s,
H,73,4.77,t,5.9
H,74,1.8,td,"6.6,5.9"
H,75,1.8,td,"6.6,5.9"
H,76,1.37,tt,"6.6,6.5"
H,77,1.37,tt,"6.6,6.5"
H,78,2.77,t,6.5
H,79,2.77,t,6.5
H,80,2.43,s,
H,81,2.43,s,
H,82,2.43,s,
H,83,7.82,s,
