C,1,27.7,s,
N,2,,,
C,3,165.5,s,
O,4,,,
C,5,76.6,s,
C,6,27.1,s,
C,7,108.0,s,
C,8,126.7,s,
N,9,,,
C,10,72.0,s,
C,11,49.1,s,
C,12,76.67,s,
S,13,,,
S,14,,,
C,15,78.4,s,
C,16,60.2,s,
O,17,,,
C,18,163.7,s,
O,19,,,
N,20,,,
C,21,79.4,s,
N,22,,,
C,23,149.7,s,
C,24,124.9,s,
C,25,131.8,s,
C,26,120.4,s,
C,27,111.2,s,
C,28,125.8,s,
N,29,,,
C,30,27.7,s,
C,31,165.25,s,
O,32,,,
C,33,134.5,s,
C,34,111.6,s,
C,35,120.5,s,
C,36,122.9,s,
C,37,118.8,s,
C,38,130.1,s,
S,39,,,
S,40,,,
C,41,74.8,s,
C,42,61.3,s,
O,43,,,
C,44,166.9,s,
O,45,,,
N,46,,,
C,47,28.3,s,
H,48,3.35,s,
H,49,3.35,s,
H,50,3.35,s,
H,51,2.05,s,
H,52,2.05,s,
H,53,7.54,d,0.5
H,54,2.05,s,
H,55,2.05,s,
H,56,4.1,s,
H,57,4.1,s,
H,58,,,
H,59,5.01,s,
H,60,,,
H,61,7.15,ddd,"6.4,1.4,0.5"
H,62,7.22,ddd,"9.4,6.4,1.4"
H,63,6.95,ddd,"9.4,6.9,1.4"
H,64,7.39,ddd,"6.9,1.4,0.5"
H,65,3.35,s,
H,66,3.35,s,
H,67,3.35,s,
H,68,7.54,ddd,"10.2,1.4,0.5"
H,69,7.43,ddd,"10.2,7.3,1.4"
H,70,7.21,td,"7.3,1.4"
H,71,7.54,ddt,"7.3,1.4,0.5"
H,72,4.1,s,
H,73,4.1,s,
H,74,,,
H,75,3.35,s,
H,76,3.35,s,
H,77,3.35,s,
