C,1,55.91,s,
O,2,,,
C,3,156.64,s,
C,4,95.96,s,
C,5,137.91,s,
C,6,127.21,s,
C,7,122.42,s,
C,8,124.41,s,
C,9,33.89,s,
C,10,59.26,s,
C,11,,,
C,12,29.64,s,
O,13,,,
C,14,42.9,s,
C,15,36.24,s,
C,16,57.96,s,
C,17,133.78,s,
C,18,108.8,s,
C,19,128.61,s,
C,20,118.19,s,
C,21,121.23,s,
C,22,121.43,s,
C,23,109.13,s,
C,24,136.35,s,
N,25,,,
C,26,30.73,s,
C,27,27.4,s,
C,28,62.1,s,
C,29,38.77,s,
C,30,64.03,s,
O,31,,,
N,32,,,
C,33,36.91,s,
C,34,108.8,s,
C,35,133.78,s,
N,36,,,
C,37,30.73,s,
C,38,57.96,s,
C,39,36.24,s,
C,40,33.48,s,
C,41,109.7,s,
C,42,197.83,s,
C,43,28.99,s,
O,44,,,
C,45,153.07,s,
O,46,,,
C,47,70.43,s,
C,48,40.4,s,
C,49,62.1,s,
C,50,27.4,s,
N,51,,,
C,52,36.91,s,
H,53,3.84,s,
H,54,3.84,s,
H,55,3.84,s,
H,56,7.05,d,0.5
H,57,7.86,d,0.5
H,58,3.01,d,6.4
H,59,3.01,d,6.4
H,60,2.87,td,"6.4,5.7"
H,61,2.15,s,
H,62,2.15,s,
H,63,2.15,s,
H,64,2.12,ddt,"10.0,7.9,5.7"
H,65,1.87,ddd,"12.4,10.3,7.9"
H,66,1.87,ddd,"12.4,10.0,4.4"
H,67,5.19,dd,"10.3,4.4"
H,68,7.5,ddd,"6.7,1.4,0.5"
H,69,7.2,ddd,"8.3,6.7,1.4"
H,70,7.97,ddd,"8.6,8.3,1.4"
H,71,7.18,ddd,"8.6,1.4,0.5"
H,72,3.38,s,
H,73,3.38,s,
H,74,3.38,s,
H,75,3.21,dd,"15.4,4.5"
H,76,3.21,dd,"15.4,10.3"
H,77,3.6,ddd,"10.3,4.5,1.4"
H,78,2.27,tdd,"5.8,5.7,1.4"
H,79,3.92,d,5.8
H,80,3.92,d,5.8
H,81,,,
H,82,2.52,s,
H,83,2.52,s,
H,84,2.52,s,
H,85,3.38,s,
H,86,3.38,s,
H,87,3.38,s,
H,88,5.19,dd,"9.7,1.2"
H,89,1.87,ddd,"12.4,9.7,6.7"
H,90,1.87,ddd,"12.4,11.2,1.2"
H,91,3.09,ddd,"11.2,6.7,6.0"
H,92,2.33,s,
H,93,2.33,s,
H,94,2.33,s,
H,95,7.79,s,
H,96,4.04,dd,"10.1,9.4"
H,97,4.04,dd,"9.4,6.0"
H,98,2.83,ddt,"10.1,9.1,6.0"
H,99,3.6,ddd,"9.1,6.5,1.3"
H,100,3.21,dd,"15.4,1.3"
H,101,3.21,dd,"15.4,6.5"
H,102,2.52,s,
H,103,2.52,s,
H,104,2.52,s,
