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,11,116.7,s,
C,12,124.1,s,
C,13,132.34,s,
C,14,124.1,s,
C,15,116.7,s,
C,16,39.3,s,
C,17,59.05,s,
C,18,125.15,s,
C,19,125.03,s,
C,20,149.4,s,
O,21,,,
C,22,60.7,s,
C,23,142.1,s,
O,24,,,
C,25,61.43,s,
C,26,142.1,s,
O,27,,,
C,28,61.43,s,
C,29,145.43,s,
O,30,,,
C,31,147.0,s,
C,32,111.9,s,
C,33,129.88,s,
C,34,126.03,s,
C,35,112.5,s,
C,36,146.35,s,
O,37,,,
C,38,55.45,s,
C,39,25.52,s,
C,40,46.63,s,
N,41,,,
C,42,42.27,s,
C,43,65.5,s,
C,44,40.4,s,
C,45,23.0,s,
C,46,50.18,s,
N,47,,,
C,48,42.23,s,
H,49,3.85,s,
H,50,3.85,s,
H,51,3.85,s,
H,52,6.82,dd,"8.7,0.5"
H,53,6.59,dd,"8.7,1.9"
H,54,4.49,dd,"1.9,0.5"
H,55,7.09,ddd,"22.1,1.9,0.5"
H,56,7.22,ddd,"22.1,1.9,0.5"
H,57,7.22,ddd,"20.8,1.9,0.5"
H,58,7.09,ddd,"20.8,1.9,0.5"
H,59,4.97,dd,"15.4,2.5"
H,60,4.97,dd,"15.4,12.7"
H,61,4.39,dd,"12.7,2.5"
H,62,3.84,s,
H,63,3.84,s,
H,64,3.84,s,
H,65,3.83,s,
H,66,3.83,s,
H,67,3.83,s,
H,68,3.83,s,
H,69,3.83,s,
H,70,3.83,s,
H,71,6.64,d,0.5
H,72,6.55,d,0.5
H,73,3.8,s,
H,74,3.8,s,
H,75,3.8,s,
H,76,2.85,ddd,"15.4,7.6,0.5"
H,77,2.85,ddd,"15.4,11.5,8.0"
H,78,2.78,ddd,"12.4,8.0,0.5"
H,79,2.78,ddd,"12.4,11.5,7.6"
H,80,2.54,s,
H,81,2.54,s,
H,82,2.54,s,
H,83,4.39,dd,"11.2,1.8"
H,84,3.01,dd,"15.4,11.2"
H,85,3.01,dd,"15.4,1.8"
H,86,2.59,ddd,"15.4,12.9,4.3"
H,87,2.59,ddd,"15.4,4.3,2.4"
H,88,2.78,ddd,"12.9,12.4,4.3"
H,89,2.78,ddd,"12.4,4.3,2.4"
H,90,2.53,s,
H,91,2.53,s,
H,92,2.53,s,
