C,1,52.08,s,
O,2,,,
C,3,172.96,s,
O,4,,,
C,5,40.4,s,
C,6,77.48,s,
O,7,,,
C,8,115.9,s,
C,9,156.64,s,
C,10,97.47,s,
C,11,152.05,s,
C,12,131.2,s,
C,13,147.2,s,
O,14,,,
C,15,60.65,s,
O,16,,,
C,17,102.03,s,
O,18,,,
O,19,,,
C,20,77.48,s,
C,21,142.58,s,
C,22,128.27,s,
C,23,113.49,s,
C,24,159.3,s,
O,25,,,
C,26,55.32,s,
C,27,113.49,s,
C,28,128.27,s,
C,29,52.7,s,
C,30,138.4,s,
C,31,129.0,s,
C,32,127.8,s,
C,33,127.8,s,
C,34,127.8,s,
C,35,129.0,s,
C,36,40.4,s,
C,37,173.33,s,
O,38,,,
N,39,,,
C,40,49.76,s,
C,41,20.47,s,
C,42,28.4,s,
C,43,79.2,s,
N,44,,,
C,45,175.06,s,
O,46,,,
C,47,35.67,s,
C,48,19.23,s,
C,49,19.23,s,
H,50,3.62,s,
H,51,3.62,s,
H,52,3.62,s,
H,53,3.47,s,
H,54,,,
H,55,6.73,s,
H,56,3.84,s,
H,57,3.84,s,
H,58,3.84,s,
H,59,6.05,s,
H,60,6.05,s,
H,61,7.15,ddd,"7.6,1.9,0.5"
H,62,7.01,ddd,"7.6,1.9,0.5"
H,63,3.76,s,
H,64,3.76,s,
H,65,3.76,s,
H,66,7.01,ddd,"8.8,1.9,0.5"
H,67,7.15,ddd,"8.8,1.9,0.5"
H,68,2.83,s,
H,69,7.23,m,
H,70,7.26,m,
H,71,7.24,ddt,"8.8,7.3,1.4"
H,72,7.26,m,
H,73,7.23,m,
H,74,2.83,s,
H,75,3.34,ddd,"12.4,11.9,6.0"
H,76,3.34,ddd,"12.4,11.7,3.9"
H,77,2.04,m,
H,78,2.04,m,
H,79,2.3,m,
H,80,2.3,m,
H,81,5.07,ddd,"7.0,3.3,1.1"
H,82,7.97,d,7.0
H,83,2.48,m,6.6
H,84,1.13,d,6.6
H,85,1.13,d,6.6
H,86,1.13,d,6.6
H,87,1.13,d,6.6
H,88,1.13,d,6.6
H,89,1.13,d,6.6
