C,1,56.0,s,
O,2,,,
C,3,150.0,s,
C,4,111.61,s,
C,5,126.82,s,
C,6,134.69,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,22,114.6,s,
C,23,152.36,s,
O,24,,,
C,25,137.38,s,
C,26,145.43,s,
C,27,125.15,s,
O,28,,,
C,29,137.25,s,
C,30,151.83,s,
O,31,,,
C,32,56.31,s,
C,33,110.47,s,
C,34,138.21,s,
C,35,130.1,s,
C,36,145.43,s,
O,37,,,
C,38,71.6,s,
C,39,31.68,s,
N,40,,,
C,41,58.89,s,
O,42,,,
C,43,66.54,s,
C,44,28.05,s,
H,45,3.85,s,
H,46,3.85,s,
H,47,3.85,s,
H,48,6.77,dd,"8.1,0.5"
H,49,6.67,dd,"8.1,1.9"
H,50,6.18,dd,"1.9,0.5"
H,51,7.09,ddd,"23.5,1.9,0.5"
H,52,7.22,ddd,"23.5,1.9,0.5"
H,53,7.22,ddd,"23.1,1.9,0.5"
H,54,7.09,ddd,"23.1,1.9,0.5"
H,55,3.01,dd,"15.4,12.1"
H,56,3.01,dd,"15.4,7.5"
H,57,4.49,dd,"12.1,7.5"
H,58,,,
H,59,3.09,ddd,"12.5,12.4,3.2"
H,60,3.09,ddd,"12.4,2.8,2.0"
H,61,2.83,ddd,"15.4,12.5,2.0"
H,62,2.83,ddd,"15.4,3.2,2.8"
H,63,6.63,s,
H,64,,,
H,65,3.87,s,
H,66,3.87,s,
H,67,3.87,s,
H,68,6.68,s,
H,69,4.86,dd,"10.8,2.4"
H,70,3.45,dd,"15.4,2.4"
H,71,3.45,dd,"15.4,10.8"
H,72,3.14,s,
H,73,3.14,s,
H,74,3.14,s,
H,75,3.65,ddd,"12.4,10.7,5.1"
H,76,3.65,ddd,"12.4,11.7,2.4"
H,77,3.01,ddd,"15.4,10.7,2.4"
H,78,3.01,ddd,"15.4,11.7,5.1"
