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,20,147.5,s,
O,21,,,
C,22,136.3,s,
O,23,,,
C,24,61.6,s,
C,25,142.1,s,
O,26,,,
C,27,61.43,s,
C,28,145.43,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,
C,46,23.0,s,
C,47,50.18,s,
N,48,,,
C,49,42.23,s,
H,50,3.85,s,
H,51,3.85,s,
H,52,3.85,s,
H,53,6.82,dd,"9.2,0.5"
H,54,6.59,dd,"9.2,1.9"
H,55,4.49,dd,"1.9,0.5"
H,56,7.09,ddd,"23.1,1.9,0.5"
H,57,7.22,ddd,"23.1,1.9,0.5"
H,58,7.22,ddd,"22.7,1.9,0.5"
H,59,7.09,ddd,"22.7,1.9,0.5"
H,60,4.97,dd,"15.4,7.2"
H,61,4.97,dd,"15.4,4.0"
H,62,4.39,dd,"7.2,4.0"
H,63,,,
H,64,3.83,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,70,6.64,s,
H,71,3.87,s,
H,72,3.87,s,
H,73,3.87,s,
H,74,3.81,s,
H,75,3.81,s,
H,76,3.81,s,
H,77,4.39,dd,"11.7,2.2"
H,78,3.01,dd,"15.4,11.7"
H,79,3.01,dd,"15.4,2.2"
H,80,2.54,s,
H,81,2.54,s,
H,82,2.54,s,
H,83,2.78,ddd,"12.5,12.4,5.4"
H,84,2.78,ddd,"12.4,7.2,2.7"
H,85,2.59,ddd,"15.4,12.5,7.2"
H,86,2.59,ddd,"15.4,5.4,2.7"
H,87,2.59,ddd,"15.4,10.4,1.7"
H,88,2.59,ddd,"15.4,9.9,7.0"
H,89,2.78,ddd,"12.4,9.9,1.7"
H,90,2.78,ddd,"12.4,10.4,7.0"
H,91,2.53,s,
H,92,2.53,s,
H,93,2.53,s,
