C,1,22.42,s,
C,2,24.66,s,
C,3,22.42,s,
C,4,36.24,s,
C,5,57.53,s,
N,6,,,
C,7,162.36,s,
O,8,,,
C,9,57.53,s,
C,10,32.8,s,
C,11,110.16,s,
C,12,123.99,s,
N,13,,,
C,14,136.38,s,
C,15,111.5,s,
C,16,121.51,s,
C,17,119.23,s,
C,18,118.5,s,
C,19,127.47,s,
N,20,,,
C,21,162.36,s,
O,22,,,
C,23,57.53,s,
C,24,67.4,s,
C,25,19.74,s,
O,26,,,
N,27,,,
C,28,162.36,s,
O,29,,,
C,30,57.53,s,
C,31,19.8,s,
N,32,,,
C,33,162.36,s,
O,34,,,
C,35,57.53,s,
C,36,36.24,s,
C,37,24.66,s,
C,38,22.42,s,
C,39,22.42,s,
N,40,,,
C,41,162.36,s,
O,42,,,
C,43,57.53,s,
C,44,30.56,s,
C,45,18.38,s,
C,46,18.38,s,
N,47,,,
C,48,162.36,s,
O,49,,,
C,50,49.05,s,
N,51,,,
C,52,162.36,s,
O,53,,,
H,54,0.8,d,6.4
H,55,0.8,d,6.4
H,56,0.8,d,6.4
H,57,1.67,m,"6.4,5.9"
H,58,0.8,d,6.4
H,59,0.8,d,6.4
H,60,0.8,d,6.4
H,61,1.87,dd,"6.2,5.9"
H,62,1.87,dd,"6.2,5.9"
H,63,4.28,t,6.2
H,64,,,
H,65,4.28,t,6.3
H,66,3.5,d,6.3
H,67,3.5,d,6.3
H,68,7.11,d,0.5
H,69,,,
H,70,7.34,ddd,"7.3,1.4,0.5"
H,71,7.14,ddd,"7.9,7.3,1.4"
H,72,7.01,ddd,"7.9,7.1,1.4"
H,73,7.57,ddt,"7.1,1.4,0.5"
H,74,,,
H,75,4.6,d,5.0
H,76,4.15,qd,"6.1,5.0"
H,77,1.15,d,6.1
H,78,1.15,d,6.1
H,79,1.15,d,6.1
H,80,,,
H,81,,,
H,82,4.28,q,6.5
H,83,1.29,d,6.5
H,84,1.29,d,6.5
H,85,1.29,d,6.5
H,86,,,
H,87,4.28,t,6.2
H,88,1.87,dd,"6.2,5.9"
H,89,1.87,dd,"6.2,5.9"
H,90,1.67,m,"6.4,5.9"
H,91,0.8,d,6.4
H,92,0.8,d,6.4
H,93,0.8,d,6.4
H,94,0.8,d,6.4
H,95,0.8,d,6.4
H,96,0.8,d,6.4
H,97,,,
H,98,4.03,d,5.4
H,99,2.19,m,"6.4,5.4"
H,100,0.82,d,6.4
H,101,0.82,d,6.4
H,102,0.82,d,6.4
H,103,0.82,d,6.4
H,104,0.82,d,6.4
H,105,0.82,d,6.4
H,106,,,
H,107,4.05,s,
H,108,4.05,s,
H,109,,,
