C,1,15.1,s,
S,2,,,
C,3,80.76,s,
C,4,61.05,s,
O,5,,,
C,6,165.39,s,
O,7,,,
N,8,,,
C,9,28.11,s,
C,10,75.8,s,
C,11,35.07,s,
C,12,108.0,s,
C,13,126.7,s,
N,14,,,
C,15,72.0,s,
C,16,49.1,s,
C,17,76.67,s,
S,18,,,
S,19,,,
C,20,78.4,s,
C,21,60.2,s,
O,22,,,
C,23,163.7,s,
O,24,,,
N,25,,,
C,26,79.4,s,
N,27,,,
C,28,149.7,s,
C,29,124.9,s,
C,30,131.8,s,
C,31,120.4,s,
C,32,111.2,s,
C,33,125.8,s,
N,34,,,
C,35,27.7,s,
C,36,165.25,s,
O,37,,,
C,38,134.5,s,
C,39,111.6,s,
C,40,120.5,s,
C,41,122.9,s,
C,42,118.8,s,
C,43,130.1,s,
S,44,,,
C,45,15.8,s,
C,46,165.39,s,
O,47,,,
N,48,,,
C,49,28.11,s,
H,50,1.74,s,
H,51,1.74,s,
H,52,1.74,s,
H,53,4.1,s,
H,54,4.1,s,
H,55,,,
H,56,3.35,s,
H,57,3.35,s,
H,58,3.35,s,
H,59,2.05,s,
H,60,2.05,s,
H,61,7.54,d,0.5
H,62,2.05,s,
H,63,2.05,s,
H,64,4.1,s,
H,65,4.1,s,
H,66,,,
H,67,5.01,s,
H,68,,,
H,69,7.15,ddd,"9.6,1.4,0.5"
H,70,7.22,ddd,"9.6,6.8,1.4"
H,71,6.95,ddd,"8.7,6.8,1.4"
H,72,7.39,ddd,"8.7,1.4,0.5"
H,73,3.35,s,
H,74,3.35,s,
H,75,3.35,s,
H,76,7.54,ddd,"8.6,1.4,0.5"
H,77,7.43,ddd,"8.6,6.2,1.4"
H,78,7.21,ddd,"8.2,6.2,1.4"
H,79,7.54,ddt,"8.2,1.4,0.5"
H,80,1.74,s,
H,81,1.74,s,
H,82,1.74,s,
H,83,3.35,s,
H,84,3.35,s,
H,85,3.35,s,
