C,1,55.95,s,
O,2,,,
C,3,147.21,s,
C,4,112.24,s,
C,5,125.2,s,
C,6,128.54,s,
C,7,111.12,s,
C,8,146.69,s,
O,9,,,
C,10,55.78,s,
C,11,64.9,s,
C,12,39.1,s,
C,13,134.0,s,
C,14,129.14,s,
C,15,114.5,s,
C,16,153.9,s,
O,17,,,
C,18,153.95,s,
C,19,113.19,s,
C,20,41.86,s,
C,21,152.75,s,
C,22,129.35,s,
C,23,177.04,s,
O,24,,,
C,25,38.34,s,
C,26,63.5,s,
C,27,122.0,s,
C,28,124.7,s,
C,29,111.02,s,
C,30,152.6,s,
O,31,,,
C,32,56.0,s,
C,33,143.7,s,
O,34,,,
C,35,60.3,s,
C,36,131.53,s,
C,37,26.8,s,
C,38,54.67,s,
N,39,,,
C,40,43.33,s,
C,41,114.5,s,
C,42,129.14,s,
N,43,,,
C,44,42.39,s,
C,45,47.8,s,
C,46,25.52,s,
H,47,3.8,s,
H,48,3.8,s,
H,49,3.8,s,
H,50,6.61,s,
H,51,6.61,s,
H,52,3.8,s,
H,53,3.8,s,
H,54,3.8,s,
H,55,4.39,t,6.2
H,56,3.66,d,6.2
H,57,3.66,d,6.2
H,58,7.22,ddd,"8.8,1.9,0.5"
H,59,6.93,ddd,"8.8,1.9,0.5"
H,60,6.25,s,
H,61,6.88,d,12.0
H,62,6.72,d,12.0
H,63,2.15,dd,"12.4,11.2"
H,64,2.15,dd,"12.4,7.7"
H,65,4.75,dd,"11.2,7.7"
H,66,6.61,s,
H,67,3.81,s,
H,68,3.81,s,
H,69,3.81,s,
H,70,3.62,s,
H,71,3.62,s,
H,72,3.62,s,
H,73,2.85,ddd,"15.4,5.9,2.8"
H,74,2.85,ddd,"15.4,13.1,4.5"
H,75,2.78,ddd,"13.1,12.4,5.9"
H,76,2.78,ddd,"12.4,4.5,2.8"
H,77,2.35,s,
H,78,2.35,s,
H,79,2.35,s,
H,80,6.93,ddd,"7.7,1.9,0.5"
H,81,7.22,ddd,"7.7,1.9,0.5"
H,82,2.54,s,
H,83,2.54,s,
H,84,2.54,s,
H,85,2.78,ddd,"12.4,12.3,7.2"
H,86,2.78,ddd,"12.4,6.6,1.5"
H,87,2.85,ddd,"15.4,7.2,1.5"
H,88,2.85,ddd,"15.4,12.3,6.6"
