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,
N,10,,,
C,11,162.36,s,
O,12,,,
C,13,57.53,s,
C,14,29.71,s,
C,15,23.68,s,
C,16,47.03,s,
N,17,,,
C,18,167.9,s,
O,19,,,
C,20,59.23,s,
C,21,35.29,s,
C,22,110.16,s,
C,23,123.99,s,
N,24,,,
C,25,136.38,s,
C,26,111.5,s,
C,27,121.51,s,
C,28,119.23,s,
C,29,118.5,s,
C,30,127.47,s,
N,31,,,
C,32,41.8,s,
C,33,41.8,s,
C,34,76.5,s,
C,35,140.34,s,
C,36,125.89,s,
C,37,128.4,s,
C,38,127.79,s,
C,39,128.4,s,
C,40,125.89,s,
O,41,,,
C,42,156.82,s,
C,43,121.28,s,
C,44,129.42,s,
C,45,132.65,s,
C,46,129.42,s,
C,47,121.28,s,
C,48,121.45,s,
C,49,149.45,s,
N,50,,,
C,51,162.36,s,
O,52,,,
H,53,0.8,d,6.4
H,54,0.8,d,6.4
H,55,0.8,d,6.4
H,56,1.67,m,"6.4,5.9"
H,57,0.8,d,6.4
H,58,0.8,d,6.4
H,59,0.8,d,6.4
H,60,1.87,dd,"6.2,5.9"
H,61,1.87,dd,"6.2,5.9"
H,62,4.28,t,6.2
H,63,,,
H,64,4.6,d,5.5
H,65,,,
H,66,4.28,dd,"6.4,1.3"
H,67,1.84,m,
H,68,1.84,m,
H,69,1.9,m,
H,70,1.9,m,
H,71,3.7,ddd,"12.4,12.1,7.4"
H,72,3.7,ddd,"12.4,11.1,2.3"
H,73,4.49,t,6.2
H,74,3.0,d,6.2
H,75,3.0,d,6.2
H,76,7.12,d,0.5
H,77,,,
H,78,7.34,ddd,"6.6,1.4,0.5"
H,79,7.14,ddd,"8.2,6.6,1.4"
H,80,7.01,ddd,"8.2,7.2,1.4"
H,81,7.57,ddt,"7.2,1.4,0.5"
H,82,2.38,s,
H,83,2.38,s,
H,84,2.38,s,
H,85,2.38,s,
H,86,2.38,s,
H,87,2.38,s,
H,88,5.89,d,5.5
H,89,7.15,m,
H,90,7.44,m,
H,91,7.32,ddt,"8.6,6.4,1.4"
H,92,7.44,m,
H,93,7.15,m,
H,94,6.93,ddd,"23.8,1.9,0.5"
H,95,7.31,ddd,"23.8,1.9,0.5"
H,96,7.31,ddd,"20.2,1.9,0.5"
H,97,6.93,ddd,"20.2,1.9,0.5"
H,98,5.91,s,
H,99,7.06,s,
H,100,,,
