C,1,56.0,s,
O,2,,,
C,3,150.0,s,
C,4,110.33,s,
C,5,126.61,s,
C,6,130.07,s,
C,7,190.92,s,
O,8,,,
C,9,110.27,s,
C,10,147.0,s,
O,11,,,
C,12,155.6,s,
C,13,116.7,s,
C,14,124.1,s,
C,15,132.34,s,
C,16,39.3,s,
C,17,58.5,s,
C,18,129.11,s,
C,19,124.1,s,
C,20,110.47,s,
C,21,153.49,s,
O,22,,,
C,23,56.23,s,
C,24,139.54,s,
O,25,,,
C,26,60.99,s,
C,27,145.43,s,
O,28,,,
C,29,147.0,s,
C,30,106.86,s,
C,31,123.2,s,
C,32,133.4,s,
C,33,110.47,s,
C,34,146.35,s,
O,35,,,
C,36,55.45,s,
C,37,27.6,s,
C,38,47.8,s,
N,39,,,
C,40,34.8,s,
C,41,164.7,s,
O,42,,,
C,43,23.3,s,
C,44,43.1,s,
N,45,,,
C,46,41.9,s,
C,47,124.1,s,
C,48,116.7,s,
H,49,3.85,s,
H,50,3.85,s,
H,51,3.85,s,
H,52,6.98,dd,"7.8,0.5"
H,53,7.47,dd,"7.8,1.9"
H,54,9.76,s,
H,55,7.41,dd,"1.9,0.5"
H,56,7.09,ddd,"7.1,1.9,0.5"
H,57,7.22,ddd,"7.1,1.9,0.5"
H,58,4.97,d,6.2
H,59,4.97,d,6.2
H,60,4.39,t,6.2
H,61,6.46,s,
H,62,3.87,s,
H,63,3.87,s,
H,64,3.87,s,
H,65,3.81,s,
H,66,3.81,s,
H,67,3.81,s,
H,68,7.87,d,0.5
H,69,6.68,d,0.5
H,70,3.8,s,
H,71,3.8,s,
H,72,3.8,s,
H,73,2.85,ddd,"15.4,5.7,2.3"
H,74,2.85,ddd,"15.4,13.1,5.8"
H,75,3.34,ddd,"12.4,5.8,2.3"
H,76,3.34,ddd,"13.1,12.4,5.7"
H,77,2.86,s,
H,78,2.86,s,
H,79,2.86,s,
H,80,2.85,ddd,"15.4,10.1,1.4"
H,81,2.85,ddd,"15.4,10.9,7.7"
H,82,2.78,ddd,"12.4,10.9,1.4"
H,83,2.78,ddd,"12.4,10.1,7.7"
H,84,2.53,s,
H,85,2.53,s,
H,86,2.53,s,
H,87,7.22,ddd,"8.8,1.9,0.5"
H,88,7.09,ddd,"8.8,1.9,0.5"
