C,1,56.0,s,
O,2,,,
C,3,150.0,s,
C,4,111.61,s,
C,5,121.5,s,
C,6,127.97,s,
C,7,110.67,s,
C,8,147.0,s,
O,9,,,
C,10,155.6,s,
C,11,120.98,s,
C,12,129.14,s,
C,13,128.8,s,
C,14,129.14,s,
C,15,120.98,s,
C,16,41.7,s,
C,17,55.95,s,
N,18,,,
C,19,41.32,s,
C,20,27.94,s,
C,21,129.13,s,
C,22,110.47,s,
C,23,149.24,s,
C,24,137.25,s,
C,25,145.43,s,
C,26,125.15,s,
O,27,,,
C,28,147.0,s,
C,29,111.9,s,
C,30,129.88,s,
C,31,126.03,s,
C,32,112.5,s,
C,33,146.35,s,
O,34,,,
C,35,55.45,s,
C,36,25.52,s,
C,37,46.63,s,
N,38,,,
C,39,42.27,s,
C,40,65.5,s,
C,41,40.4,s,
O,42,,,
C,43,101.47,s,
O,44,,,
H,45,3.85,s,
H,46,3.85,s,
H,47,3.85,s,
H,48,6.82,dd,"8.2,0.5"
H,49,6.59,dd,"8.2,1.9"
H,50,4.49,dd,"1.9,0.5"
H,51,7.09,ddd,"25.2,1.9,0.5"
H,52,7.22,ddd,"25.2,1.9,0.5"
H,53,7.22,ddd,"21.0,1.9,0.5"
H,54,7.09,ddd,"21.0,1.9,0.5"
H,55,3.01,dd,"15.4,13.8"
H,56,3.01,dd,"15.4,2.5"
H,57,4.49,dd,"13.8,2.5"
H,58,,,
H,59,3.09,ddd,"12.4,10.7,5.0"
H,60,3.09,ddd,"12.4,11.5,3.1"
H,61,2.83,ddd,"15.4,11.5,5.0"
H,62,2.83,ddd,"15.4,10.7,3.1"
H,63,6.68,s,
H,64,6.64,d,0.5
H,65,6.55,d,0.5
H,66,3.8,s,
H,67,3.8,s,
H,68,3.8,s,
H,69,2.85,ddd,"15.4,10.5,5.1"
H,70,2.85,ddd,"15.4,11.5,3.1"
H,71,2.78,ddd,"12.4,11.5,5.1"
H,72,2.78,ddd,"12.4,10.5,3.1"
H,73,2.54,s,
H,74,2.54,s,
H,75,2.54,s,
H,76,4.39,t,8.6
H,77,3.01,dd,"15.4,8.6"
H,78,3.01,dd,"15.4,8.6"
H,79,5.94,s,
H,80,5.94,s,
