C,1,12.85,s,
C,2,120.71,s,
C,3,142.04,s,
C,4,51.9,s,
N,5,,,
C,6,42.3,s,
C,7,62.1,s,
C,8,35.29,s,
C,9,110.5,s,
C,10,137.8,s,
N,11,,,
C,12,136.0,s,
C,13,109.5,s,
C,14,121.21,s,
C,15,118.7,s,
C,16,117.4,s,
C,17,130.0,s,
C,18,36.8,s,
C,19,110.9,s,
C,20,156.64,s,
O,21,,,
C,22,55.91,s,
C,23,109.8,s,
C,24,120.3,s,
C,25,129.0,s,
C,26,109.56,s,
C,27,140.19,s,
N,28,,,
C,29,136.36,s,
C,30,44.87,s,
C,31,175.47,s,
O,32,,,
O,33,,,
C,34,53.03,s,
C,35,36.7,s,
C,36,26.7,s,
C,37,31.7,s,
C,38,39.67,s,
C,39,28.3,s,
C,40,11.9,s,
C,41,61.05,s,
N,42,,,
C,43,52.0,s,
C,44,21.17,s,
C,45,51.1,s,
C,46,32.61,s,
C,47,42.38,s,
C,48,40.4,s,
C,49,172.96,s,
O,50,,,
O,51,,,
C,52,52.08,s,
H,53,1.65,d,7.0
H,54,1.65,d,7.0
H,55,1.65,d,7.0
H,56,5.41,q,7.0
H,57,3.77,s,
H,58,3.77,s,
H,59,2.61,s,
H,60,2.61,s,
H,61,2.61,s,
H,62,4.0,ddd,"6.8,1.9,1.0"
H,63,3.21,dd,"15.4,6.8"
H,64,3.21,dd,"15.4,1.9"
H,65,,,
H,66,7.2,ddd,"6.5,1.4,0.5"
H,67,7.18,ddd,"8.0,6.5,1.4"
H,68,7.13,ddd,"8.9,8.0,1.4"
H,69,7.53,ddd,"8.9,1.4,0.5"
H,70,2.83,dd,"10.4,6.8"
H,71,3.84,s,
H,72,3.84,s,
H,73,3.84,s,
H,74,6.91,d,6.2
H,75,7.55,d,6.2
H,76,,,
H,77,3.54,s,
H,78,3.54,s,
H,79,3.54,s,
H,80,2.04,dd,"12.4,1.4"
H,81,2.04,dd,"12.4,4.8"
H,82,1.65,m,
H,83,1.66,ddd,"12.4,9.1,5.2"
H,84,1.66,ddd,"12.4,9.8,1.8"
H,85,2.37,m,
H,86,1.44,qd,"7.0,6.0"
H,87,1.44,qd,"7.0,6.0"
H,88,0.88,t,7.0
H,89,0.88,t,7.0
H,90,0.88,t,7.0
H,91,3.54,d,0.9
H,92,3.34,ddd,"12.6,12.4,4.3"
H,93,3.34,ddd,"12.4,5.5,2.8"
H,94,3.15,ddd,"13.4,4.3,2.8"
H,95,3.15,ddd,"13.4,12.6,5.5"
H,96,3.31,dd,"12.4,1.6"
H,97,3.31,dd,"12.4,4.1"
H,98,1.66,ddd,"12.4,6.8,4.8"
H,99,1.66,ddd,"12.4,10.4,6.3"
H,100,3.74,ddd,"6.3,4.8,2.3"
H,101,2.74,dd,"2.3,1.0"
H,102,2.47,s,
H,103,2.47,s,
H,104,2.47,s,
