C,1,22.12,s,
C,2,24.52,s,
C,3,22.12,s,
C,4,38.98,s,
C,5,76.12,s,
O,6,,,
C,7,172.04,s,
O,8,,,
C,9,33.25,s,
C,10,48.69,s,
N,11,,,
C,12,162.36,s,
O,13,,,
C,14,57.53,s,
C,15,36.24,s,
C,16,24.66,s,
C,17,22.42,s,
C,18,22.42,s,
N,19,,,
C,20,162.36,s,
O,21,,,
C,22,57.53,s,
C,23,30.56,s,
C,24,18.38,s,
C,25,18.38,s,
N,26,,,
C,27,31.45,s,
C,28,169.5,s,
O,29,,,
C,30,57.53,s,
C,31,32.8,s,
C,32,134.98,s,
C,33,129.1,s,
C,34,128.8,s,
C,35,126.94,s,
C,36,128.8,s,
C,37,129.1,s,
N,38,,,
C,39,162.36,s,
O,40,,,
C,41,57.53,s,
C,42,29.71,s,
C,43,23.68,s,
C,44,47.03,s,
N,45,,,
C,46,171.19,s,
O,47,,,
H,48,0.87,d,6.4
H,49,0.87,d,6.4
H,50,0.87,d,6.4
H,51,1.64,m,"6.4,5.9"
H,52,0.87,d,6.4
H,53,0.87,d,6.4
H,54,0.87,d,6.4
H,55,1.88,dd,"6.0,5.9"
H,56,1.88,dd,"6.0,5.9"
H,57,4.68,t,6.0
H,58,2.73,ddd,"15.4,12.6,5.7"
H,59,2.73,ddd,"15.4,5.8,1.8"
H,60,3.5,ddd,"12.4,5.7,1.8"
H,61,3.5,ddd,"12.6,12.4,5.8"
H,62,,,
H,63,4.28,t,6.2
H,64,1.87,dd,"6.2,5.9"
H,65,1.87,dd,"6.2,5.9"
H,66,1.67,m,"6.4,5.9"
H,67,0.8,d,6.4
H,68,0.8,d,6.4
H,69,0.8,d,6.4
H,70,0.8,d,6.4
H,71,0.8,d,6.4
H,72,0.8,d,6.4
H,73,,,
H,74,4.28,d,5.7
H,75,2.09,m,"6.4,5.7"
H,76,0.88,d,6.4
H,77,0.88,d,6.4
H,78,0.88,d,6.4
H,79,0.88,d,6.4
H,80,0.88,d,6.4
H,81,0.88,d,6.4
H,82,2.91,s,
H,83,2.91,s,
H,84,2.91,s,
H,85,3.58,t,6.2
H,86,3.5,d,6.2
H,87,3.5,d,6.2
H,88,7.25,m,
H,89,7.24,m,
H,90,7.22,ddt,"7.7,7.5,1.4"
H,91,7.24,m,
H,92,7.25,m,
H,93,,,
H,94,4.28,dd,"6.3,0.4"
H,95,1.84,m,
H,96,1.84,m,
H,97,1.9,m,
H,98,1.9,m,
H,99,3.7,ddd,"12.4,11.7,4.3"
H,100,3.7,ddd,"12.4,11.6,4.4"
