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,11,120.41,s,
C,12,129.33,s,
C,13,131.04,s,
C,14,129.33,s,
C,15,120.41,s,
C,16,41.36,s,
C,17,160.96,s,
N,18,,,
C,19,139.84,s,
C,20,115.1,s,
C,21,125.33,s,
C,22,145.19,s,
C,23,137.25,s,
C,24,137.25,s,
O,25,,,
C,26,60.93,s,
C,27,145.19,s,
C,28,126.45,s,
O,29,,,
C,30,145.43,s,
C,31,125.03,s,
C,32,131.87,s,
C,33,110.33,s,
C,34,151.83,s,
O,35,,,
C,36,56.31,s,
C,37,139.54,s,
O,38,,,
C,39,60.99,s,
C,40,64.8,s,
C,41,40.77,s,
N,42,,,
C,43,42.33,s,
C,44,50.18,s,
C,45,23.0,s,
O,46,,,
C,47,98.83,s,
O,48,,,
H,49,3.85,s,
H,50,3.85,s,
H,51,3.85,s,
H,52,6.82,dd,"8.0,0.5"
H,53,6.59,dd,"8.0,1.9"
H,54,4.49,dd,"1.9,0.5"
H,55,7.06,ddd,"22.8,1.9,0.5"
H,56,6.92,ddd,"22.8,1.9,0.5"
H,57,6.92,ddd,"23.2,1.9,0.5"
H,58,7.06,ddd,"23.2,1.9,0.5"
H,59,4.13,s,
H,60,4.13,s,
H,61,8.19,d,4.5
H,62,7.7,d,4.5
H,63,3.83,s,
H,64,3.83,s,
H,65,3.83,s,
H,66,6.64,s,
H,67,3.87,s,
H,68,3.87,s,
H,69,3.87,s,
H,70,3.81,s,
H,71,3.81,s,
H,72,3.81,s,
H,73,4.39,dd,"13.3,3.1"
H,74,3.01,dd,"15.4,13.3"
H,75,3.01,dd,"15.4,3.1"
H,76,2.54,s,
H,77,2.54,s,
H,78,2.54,s,
H,79,2.78,ddd,"12.4,7.7,2.5"
H,80,2.78,ddd,"12.4,12.0,5.9"
H,81,2.59,ddd,"15.4,12.0,7.7"
H,82,2.59,ddd,"15.4,5.9,2.5"
H,83,5.9,s,
H,84,5.9,s,
