C,1,27.5,s,
N,2,,,
C,3,168.3,s,
O,4,,,
C,5,76.67,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,,,
S,41,,,
S,42,,,
C,43,75.4,s,
C,44,62.2,s,
O,45,,,
C,46,165.39,s,
O,47,,,
N,48,,,
C,49,28.11,s,
H,50,3.35,s,
H,51,3.35,s,
H,52,3.35,s,
H,53,2.05,s,
H,54,2.05,s,
H,55,7.54,d,0.5
H,56,2.05,s,
H,57,2.05,s,
H,58,4.1,s,
H,59,4.1,s,
H,60,,,
H,61,5.01,s,
H,62,,,
H,63,7.15,ddd,"7.6,1.4,0.5"
H,64,7.22,ddd,"7.6,7.5,1.4"
H,65,6.95,ddd,"8.2,7.5,1.4"
H,66,7.39,ddd,"8.2,1.4,0.5"
H,67,3.35,s,
H,68,3.35,s,
H,69,3.35,s,
H,70,7.54,ddd,"8.1,1.4,0.5"
H,71,7.43,ddd,"8.1,6.8,1.4"
H,72,7.21,ddd,"8.9,6.8,1.4"
H,73,7.54,ddt,"8.9,1.4,0.5"
H,74,4.1,s,
H,75,4.1,s,
H,76,,,
H,77,3.35,s,
H,78,3.35,s,
H,79,3.35,s,
