C,1,56.0,s,
O,2,,,
C,3,148.26,s,
C,4,108.35,s,
C,5,121.9,s,
C,6,131.25,s,
C,7,110.47,s,
C,8,147.0,s,
O,9,,,
C,10,145.43,s,
C,11,139.54,s,
O,12,,,
C,13,60.99,s,
C,14,153.49,s,
O,15,,,
C,16,56.23,s,
C,17,110.47,s,
C,18,124.1,s,
C,19,129.11,s,
C,20,59.05,s,
C,21,41.4,s,
C,22,122.7,s,
C,23,115.8,s,
C,24,110.2,s,
C,25,147.49,s,
O,26,,,
C,27,145.4,s,
C,28,132.4,s,
O,29,,,
C,30,153.95,s,
C,31,120.41,s,
C,32,128.6,s,
C,33,130.9,s,
C,34,128.6,s,
C,35,120.41,s,
C,36,45.3,s,
C,37,161.4,s,
N,38,,,
C,39,45.69,s,
C,40,25.6,s,
N,41,,,
C,42,42.23,s,
C,43,43.84,s,
C,44,23.3,s,
H,45,3.8,s,
H,46,3.8,s,
H,47,3.8,s,
H,48,6.81,d,0.5
H,49,6.68,d,0.5
H,50,3.81,s,
H,51,3.81,s,
H,52,3.81,s,
H,53,3.87,s,
H,54,3.87,s,
H,55,3.87,s,
H,56,6.46,s,
H,57,4.39,dd,"6.8,2.9"
H,58,3.01,dd,"15.4,6.8"
H,59,3.01,dd,"15.4,2.9"
H,60,6.52,dd,"8.7,1.9"
H,61,6.78,dd,"8.7,0.5"
H,62,,,
H,63,4.74,dd,"1.9,0.5"
H,64,7.06,ddd,"20.3,1.9,0.5"
H,65,6.92,ddd,"20.3,1.9,0.5"
H,66,6.92,ddd,"23.9,1.9,0.5"
H,67,7.06,ddd,"23.9,1.9,0.5"
H,68,4.19,s,
H,69,4.19,s,
H,70,3.5,ddd,"12.8,12.4,2.0"
H,71,3.5,ddd,"12.4,5.0,1.5"
H,72,2.9,ddd,"15.4,2.0,1.5"
H,73,2.9,ddd,"15.4,12.8,5.0"
H,74,2.53,s,
H,75,2.53,s,
H,76,2.53,s,
H,77,2.78,ddd,"12.4,7.8,0.9"
H,78,2.78,ddd,"12.4,9.4,9.0"
H,79,2.85,ddd,"15.4,9.0,0.9"
H,80,2.85,ddd,"15.4,9.4,7.8"
