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,11,120.98,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,34,124.1,s,
C,35,129.11,s,
C,36,145.43,s,
O,37,,,
C,38,59.05,s,
C,39,41.4,s,
N,40,,,
C,41,42.23,s,
C,42,43.84,s,
C,43,23.3,s,
H,44,3.85,s,
H,45,3.85,s,
H,46,3.85,s,
H,47,6.82,dd,"8.0,0.5"
H,48,6.59,dd,"8.0,1.9"
H,49,4.49,dd,"1.9,0.5"
H,50,7.09,ddd,"22.2,1.9,0.5"
H,51,7.22,ddd,"22.2,1.9,0.5"
H,52,7.22,ddd,"24.4,1.9,0.5"
H,53,7.09,ddd,"24.4,1.9,0.5"
H,54,3.01,dd,"15.4,7.5"
H,55,3.01,dd,"15.4,11.5"
H,56,4.49,dd,"11.5,7.5"
H,57,,,
H,58,3.09,ddd,"12.4,5.4,2.2"
H,59,3.09,ddd,"12.4,12.1,3.1"
H,60,2.83,ddd,"15.4,3.1,2.2"
H,61,2.83,ddd,"15.4,12.1,5.4"
H,62,6.63,s,
H,63,,,
H,64,3.87,s,
H,65,3.87,s,
H,66,3.87,s,
H,67,6.46,s,
H,68,4.39,dd,"10.1,5.0"
H,69,3.01,dd,"15.4,5.0"
H,70,3.01,dd,"15.4,10.1"
H,71,2.53,s,
H,72,2.53,s,
H,73,2.53,s,
H,74,2.78,ddd,"12.4,5.3,3.1"
H,75,2.78,ddd,"13.7,12.4,4.6"
H,76,2.85,ddd,"15.4,4.6,3.1"
H,77,2.85,ddd,"15.4,13.7,5.3"
