C,1,27.7,s,
N,2,,,
C,3,165.25,s,
O,4,,,
C,5,76.67,s,
C,6,49.1,s,
C,7,72.0,s,
N,8,,,
C,9,126.7,s,
C,10,108.0,s,
C,11,27.1,s,
C,12,76.67,s,
S,13,,,
S,14,,,
S,15,,,
C,16,75.4,s,
C,17,62.2,s,
O,18,,,
C,19,165.39,s,
O,20,,,
N,21,,,
C,22,28.11,s,
N,23,,,
C,24,27.5,s,
C,25,168.3,s,
O,26,,,
C,27,130.1,s,
C,28,118.8,s,
C,29,122.9,s,
C,30,120.5,s,
C,31,111.6,s,
C,32,134.5,s,
C,33,125.8,s,
C,34,111.2,s,
C,35,120.4,s,
C,36,131.8,s,
C,37,124.9,s,
C,38,149.7,s,
N,39,,,
C,40,79.4,s,
N,41,,,
C,42,163.7,s,
O,43,,,
C,44,78.4,s,
C,45,60.2,s,
O,46,,,
S,47,,,
S,48,,,
H,49,3.35,s,
H,50,3.35,s,
H,51,3.35,s,
H,52,2.05,s,
H,53,2.05,s,
H,54,7.54,d,0.5
H,55,2.05,s,
H,56,2.05,s,
H,57,4.1,s,
H,58,4.1,s,
H,59,,,
H,60,3.35,s,
H,61,3.35,s,
H,62,3.35,s,
H,63,3.35,s,
H,64,3.35,s,
H,65,3.35,s,
H,66,7.54,ddt,"7.1,1.4,0.5"
H,67,7.21,ddd,"7.1,6.8,1.4"
H,68,7.43,ddd,"8.4,6.8,1.4"
H,69,7.54,ddd,"8.4,1.4,0.5"
H,70,7.39,ddd,"8.2,1.4,0.5"
H,71,6.95,ddd,"8.5,8.2,1.4"
H,72,7.22,ddd,"8.5,7.4,1.4"
H,73,7.15,ddd,"7.4,1.4,0.5"
H,74,,,
H,75,5.01,s,
H,76,4.1,s,
H,77,4.1,s,
H,78,,,
