C,1,56.0,s,
O,2,,,
C,3,150.0,s,
C,4,111.61,s,
C,5,121.5,s,
C,6,127.97,s,
C,7,41.4,s,
C,8,59.05,s,
C,9,129.11,s,
C,10,124.1,s,
C,11,110.47,s,
C,12,153.49,s,
O,13,,,
C,14,56.23,s,
C,15,139.54,s,
O,16,,,
C,17,60.99,s,
C,18,145.43,s,
O,19,,,
C,20,147.0,s,
C,21,106.86,s,
C,22,123.2,s,
C,23,133.4,s,
C,24,110.47,s,
C,25,146.35,s,
O,26,,,
C,27,55.45,s,
C,28,27.6,s,
C,29,47.8,s,
N,30,,,
C,31,34.8,s,
C,32,164.7,s,
O,33,,,
C,34,23.3,s,
C,35,43.84,s,
N,36,,,
C,37,42.23,s,
C,38,110.67,s,
C,39,147.0,s,
O,40,,,
C,41,154.85,s,
C,42,117.68,s,
C,43,131.58,s,
C,44,125.23,s,
C,45,168.26,s,
O,46,,,
O,47,,,
C,48,131.58,s,
C,49,117.68,s,
H,50,3.85,s,
H,51,3.85,s,
H,52,3.85,s,
H,53,6.82,dd,"8.3,0.5"
H,54,6.59,dd,"8.3,1.9"
H,55,3.01,d,6.2
H,56,3.01,d,6.2
H,57,4.39,t,6.2
H,58,6.46,s,
H,59,3.87,s,
H,60,3.87,s,
H,61,3.87,s,
H,62,3.81,s,
H,63,3.81,s,
H,64,3.81,s,
H,65,7.87,d,0.5
H,66,6.68,d,0.5
H,67,3.8,s,
H,68,3.8,s,
H,69,3.8,s,
H,70,2.85,ddd,"15.4,13.0,7.5"
H,71,2.85,ddd,"15.4,6.9,1.4"
H,72,3.34,ddd,"12.4,7.5,1.4"
H,73,3.34,ddd,"13.0,12.4,6.9"
H,74,2.86,s,
H,75,2.86,s,
H,76,2.86,s,
H,77,2.85,ddd,"15.4,10.5,1.4"
H,78,2.85,ddd,"15.4,11.5,6.5"
H,79,2.78,ddd,"12.4,10.5,6.5"
H,80,2.78,ddd,"12.4,11.5,1.4"
H,81,2.53,s,
H,82,2.53,s,
H,83,2.53,s,
H,84,4.49,dd,"1.9,0.5"
H,85,7.06,ddd,"8.9,1.9,0.5"
H,86,7.97,ddd,"8.9,1.9,0.5"
H,87,,,
H,88,7.97,ddd,"8.7,1.9,0.5"
H,89,7.06,ddd,"8.7,1.9,0.5"
