C,1,55.99,s,
O,2,,,
C,3,145.52,s,
C,4,110.6,s,
C,5,124.7,s,
C,6,128.85,s,
C,7,113.4,s,
C,8,143.4,s,
O,9,,,
C,10,64.0,s,
C,11,39.73,s,
C,12,134.0,s,
C,13,124.1,s,
C,14,120.41,s,
C,15,160.5,s,
O,16,,,
C,17,148.4,s,
C,18,97.47,s,
C,19,146.9,s,
O,20,,,
C,21,56.1,s,
C,22,139.1,s,
O,23,,,
C,24,110.9,s,
C,25,123.9,s,
C,26,36.5,s,
C,27,64.8,s,
C,28,128.85,s,
C,29,113.4,s,
C,30,143.4,s,
O,31,,,
C,32,145.52,s,
O,33,,,
C,34,55.99,s,
C,35,110.6,s,
C,36,124.7,s,
C,37,24.4,s,
C,38,47.07,s,
N,39,,,
C,40,42.33,s,
C,41,120.41,s,
C,42,124.1,s,
N,43,,,
C,44,42.39,s,
C,45,47.8,s,
C,46,24.4,s,
H,47,3.86,s,
H,48,3.86,s,
H,49,3.86,s,
H,50,6.65,d,0.5
H,51,6.69,d,0.5
H,52,,,
H,53,4.39,t,6.2
H,54,3.66,d,6.2
H,55,3.66,d,6.2
H,56,7.22,ddd,"6.8,1.9,0.5"
H,57,7.06,ddd,"6.8,1.9,0.5"
H,58,6.73,d,0.5
H,59,3.82,s,
H,60,3.82,s,
H,61,3.82,s,
H,62,,,
H,63,6.94,d,0.5
H,64,3.01,d,6.2
H,65,3.01,d,6.2
H,66,4.39,t,6.2
H,67,6.69,d,0.5
H,68,,,
H,69,3.86,s,
H,70,3.86,s,
H,71,3.86,s,
H,72,6.65,d,0.5
H,73,2.85,ddd,"15.4,11.4,6.3"
H,74,2.85,ddd,"15.4,10.4,2.2"
H,75,2.78,ddd,"12.4,11.4,2.2"
H,76,2.78,ddd,"12.4,10.4,6.3"
H,77,2.54,s,
H,78,2.54,s,
H,79,2.54,s,
H,80,7.06,ddd,"7.3,1.9,0.5"
H,81,7.22,ddd,"7.3,1.9,0.5"
H,82,2.54,s,
H,83,2.54,s,
H,84,2.54,s,
H,85,2.78,ddd,"12.4,11.1,2.3"
H,86,2.78,ddd,"12.4,10.7,6.7"
H,87,2.85,ddd,"15.4,11.1,6.7"
H,88,2.85,ddd,"15.4,10.7,2.3"
