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,11,64.47,s,
C,12,39.16,s,
C,13,136.78,s,
C,14,110.67,s,
C,15,153.48,s,
O,16,,,
C,17,56.21,s,
C,18,137.25,s,
O,19,,,
C,20,60.93,s,
C,21,148.66,s,
O,22,,,
C,23,154.85,s,
C,24,120.98,s,
C,25,130.5,s,
C,26,134.0,s,
C,27,39.73,s,
C,28,64.8,s,
C,29,131.87,s,
C,30,110.33,s,
C,31,151.83,s,
O,32,,,
C,33,56.31,s,
C,34,137.25,s,
C,35,145.43,s,
C,36,125.03,s,
C,37,23.0,s,
C,38,50.18,s,
N,39,,,
C,40,42.33,s,
O,41,,,
C,42,98.83,s,
O,43,,,
C,44,130.5,s,
C,45,120.98,s,
C,46,110.67,s,
N,47,,,
C,48,42.39,s,
C,49,47.8,s,
C,50,25.52,s,
H,51,3.8,s,
H,52,3.8,s,
H,53,3.8,s,
H,54,6.61,s,
H,55,6.61,s,
H,56,3.8,s,
H,57,3.8,s,
H,58,3.8,s,
H,59,4.39,t,6.2
H,60,3.66,d,6.2
H,61,3.66,d,6.2
H,62,6.18,s,
H,63,3.87,s,
H,64,3.87,s,
H,65,3.87,s,
H,66,3.83,s,
H,67,3.83,s,
H,68,3.83,s,
H,69,7.09,ddd,"7.0,1.9,0.5"
H,70,7.22,ddd,"7.0,1.9,0.5"
H,71,3.66,d,6.2
H,72,3.66,d,6.2
H,73,4.39,t,6.2
H,74,6.64,s,
H,75,3.87,s,
H,76,3.87,s,
H,77,3.87,s,
H,78,2.59,ddd,"15.4,9.0,1.7"
H,79,2.59,ddd,"15.4,9.8,9.1"
H,80,2.78,ddd,"12.4,9.1,9.0"
H,81,2.78,ddd,"12.4,9.8,1.7"
H,82,2.54,s,
H,83,2.54,s,
H,84,2.54,s,
H,85,5.9,s,
H,86,5.9,s,
H,87,7.22,ddd,"7.3,1.9,0.5"
H,88,7.09,ddd,"7.3,1.9,0.5"
H,89,6.18,s,
H,90,2.54,s,
H,91,2.54,s,
H,92,2.54,s,
H,93,2.78,ddd,"12.4,11.1,8.4"
H,94,2.78,ddd,"12.4,7.9,1.3"
H,95,2.85,ddd,"15.4,11.1,7.9"
H,96,2.85,ddd,"15.4,8.4,1.3"
