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,17,58.5,s,
C,18,124.6,s,
C,19,124.1,s,
C,20,107.8,s,
C,21,147.1,s,
O,22,,,
C,23,56.25,s,
C,24,138.0,s,
O,25,,,
C,26,137.7,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,
C,42,23.3,s,
C,43,43.1,s,
N,44,,,
C,45,41.9,s,
H,46,3.85,s,
H,47,3.85,s,
H,48,3.85,s,
H,49,6.82,dd,"7.8,0.5"
H,50,6.59,dd,"7.8,1.9"
H,51,4.49,dd,"1.9,0.5"
H,52,7.09,ddd,"22.3,1.9,0.5"
H,53,7.22,ddd,"22.3,1.9,0.5"
H,54,7.22,ddd,"23.3,1.9,0.5"
H,55,7.09,ddd,"23.3,1.9,0.5"
H,56,4.97,dd,"15.4,3.7"
H,57,4.97,dd,"15.4,8.7"
H,58,4.39,dd,"8.7,3.7"
H,59,6.32,s,
H,60,3.84,s,
H,61,3.84,s,
H,62,3.84,s,
H,63,,,
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,"15.4,7.9,1.1"
H,70,2.85,ddd,"15.4,10.4,8.3"
H,71,2.78,ddd,"12.4,8.3,1.1"
H,72,2.78,ddd,"12.4,10.4,7.9"
H,73,2.54,s,
H,74,2.54,s,
H,75,2.54,s,
H,76,4.39,dd,"11.6,5.4"
H,77,3.01,dd,"15.4,11.6"
H,78,3.01,dd,"15.4,5.4"
H,79,2.85,ddd,"15.4,4.1,2.0"
H,80,2.85,ddd,"15.4,11.3,2.1"
H,81,2.78,ddd,"12.4,4.1,2.1"
H,82,2.78,ddd,"12.4,11.3,2.0"
H,83,2.53,s,
H,84,2.53,s,
H,85,2.53,s,
