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,17,57.8,s,
N,18,,,
C,19,41.2,s,
C,20,24.9,s,
C,21,127.4,s,
C,22,111.48,s,
C,23,146.35,s,
O,24,,,
C,25,55.45,s,
C,26,147.0,s,
C,27,110.33,s,
C,28,130.4,s,
O,29,,,
C,30,145.43,s,
C,31,139.54,s,
O,32,,,
C,33,60.99,s,
C,34,153.49,s,
O,35,,,
C,36,56.23,s,
C,37,110.47,s,
C,38,124.1,s,
C,39,129.11,s,
C,40,59.05,s,
C,41,41.4,s,
N,42,,,
C,43,42.23,s,
C,44,43.84,s,
C,45,23.3,s,
H,46,3.85,s,
H,47,3.85,s,
H,48,3.85,s,
H,49,6.82,dd,"9.1,0.5"
H,50,6.59,dd,"9.1,1.9"
H,51,4.49,dd,"1.9,0.5"
H,52,7.09,ddd,"23.3,1.9,0.5"
H,53,7.22,ddd,"23.3,1.9,0.5"
H,54,7.22,ddd,"21.8,1.9,0.5"
H,55,7.09,ddd,"21.8,1.9,0.5"
H,56,3.01,dd,"15.4,10.3"
H,57,3.01,dd,"15.4,6.1"
H,58,4.13,dd,"10.3,6.1"
H,59,,,
H,60,3.08,ddd,"12.4,10.8,2.9"
H,61,3.08,ddd,"12.4,11.3,3.8"
H,62,2.78,ddd,"15.4,11.3,2.9"
H,63,2.78,ddd,"15.4,10.8,3.8"
H,64,6.55,d,0.5
H,65,3.8,s,
H,66,3.8,s,
H,67,3.8,s,
H,68,6.64,d,0.5
H,69,3.81,s,
H,70,3.81,s,
H,71,3.81,s,
H,72,3.87,s,
H,73,3.87,s,
H,74,3.87,s,
H,75,6.46,s,
H,76,4.39,dd,"9.4,3.5"
H,77,3.01,dd,"15.4,3.5"
H,78,3.01,dd,"15.4,9.4"
H,79,2.53,s,
H,80,2.53,s,
H,81,2.53,s,
H,82,2.78,ddd,"12.4,7.4,1.8"
H,83,2.78,ddd,"12.4,10.8,8.3"
H,84,2.85,ddd,"15.4,8.3,1.8"
H,85,2.85,ddd,"15.4,10.8,7.4"
