C,1,56.31,s,
O,2,,,
C,3,151.83,s,
C,4,109.89,s,
C,5,128.7,s,
C,6,125.03,s,
C,7,145.43,s,
O,8,,,
C,9,154.2,s,
C,10,120.41,s,
C,11,124.1,s,
C,12,134.0,s,
C,13,39.1,s,
C,14,64.7,s,
C,15,129.88,s,
C,16,110.33,s,
C,17,145.4,s,
C,18,145.8,s,
C,19,108.2,s,
C,20,126.18,s,
C,21,25.2,s,
C,22,47.8,s,
N,23,,,
C,24,42.39,s,
O,25,,,
C,26,100.8,s,
O,27,,,
C,28,124.1,s,
C,29,120.41,s,
C,30,139.54,s,
O,31,,,
C,32,60.99,s,
C,33,35.29,s,
C,34,62.2,s,
C,35,127.11,s,
C,36,125.03,s,
C,37,149.4,s,
O,38,,,
C,39,60.7,s,
C,40,137.25,s,
O,41,,,
C,42,60.93,s,
C,43,145.31,s,
O,44,,,
C,45,60.33,s,
C,46,124.28,s,
C,47,23.0,s,
C,48,50.18,s,
N,49,,,
C,50,43.72,s,
H,51,3.87,s,
H,52,3.87,s,
H,53,3.87,s,
H,54,7.34,s,
H,55,7.06,ddd,"7.5,1.9,0.5"
H,56,7.22,ddd,"7.5,1.9,0.5"
H,57,3.66,d,6.2
H,58,3.66,d,6.2
H,59,4.39,t,6.2
H,60,6.72,d,0.5
H,61,6.57,d,0.5
H,62,2.85,ddd,"15.4,8.2,1.4"
H,63,2.85,ddd,"15.4,10.2,8.6"
H,64,2.78,ddd,"12.4,8.6,1.4"
H,65,2.78,ddd,"12.4,10.2,8.2"
H,66,2.54,s,
H,67,2.54,s,
H,68,2.54,s,
H,69,5.88,s,
H,70,5.88,s,
H,71,7.22,ddd,"7.4,1.9,0.5"
H,72,7.06,ddd,"7.4,1.9,0.5"
H,73,3.81,s,
H,74,3.81,s,
H,75,3.81,s,
H,76,3.01,dd,"15.4,9.9"
H,77,3.01,dd,"15.4,7.7"
H,78,2.97,dd,"9.9,7.7"
H,79,3.84,s,
H,80,3.84,s,
H,81,3.84,s,
H,82,3.83,s,
H,83,3.83,s,
H,84,3.83,s,
H,85,3.72,s,
H,86,3.72,s,
H,87,3.72,s,
H,88,2.59,ddd,"15.4,12.7,5.5"
H,89,2.59,ddd,"15.4,5.1,2.7"
H,90,2.78,ddd,"12.4,5.5,2.7"
H,91,2.78,ddd,"12.7,12.4,5.1"
H,92,2.55,s,
H,93,2.55,s,
H,94,2.55,s,
