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,10,36.24,s,
C,11,24.66,s,
C,12,22.42,s,
C,13,22.42,s,
N,14,,,
C,15,162.36,s,
O,16,,,
C,17,57.53,s,
C,18,36.24,s,
C,19,24.66,s,
C,20,22.42,s,
C,21,22.42,s,
N,22,,,
C,23,162.36,s,
O,24,,,
C,25,57.53,s,
C,26,32.8,s,
C,27,134.98,s,
C,28,130.04,s,
C,29,113.24,s,
C,30,149.58,s,
N,31,,,
C,32,40.19,s,
C,33,40.19,s,
C,34,113.24,s,
C,35,130.04,s,
N,36,,,
C,37,162.36,s,
O,38,,,
C,39,57.53,s,
C,40,36.24,s,
C,41,24.66,s,
C,42,22.42,s,
C,43,22.42,s,
N,44,,,
C,45,162.36,s,
O,46,,,
H,47,0.8,d,6.4
H,48,0.8,d,6.4
H,49,0.8,d,6.4
H,50,1.67,m,"6.4,5.9"
H,51,0.8,d,6.4
H,52,0.8,d,6.4
H,53,0.8,d,6.4
H,54,1.87,dd,"6.2,5.9"
H,55,1.87,dd,"6.2,5.9"
H,56,4.28,t,6.2
H,57,,,
H,58,4.28,t,6.2
H,59,1.87,dd,"6.2,5.9"
H,60,1.87,dd,"6.2,5.9"
H,61,1.67,m,"6.4,5.9"
H,62,0.8,d,6.4
H,63,0.8,d,6.4
H,64,0.8,d,6.4
H,65,0.8,d,6.4
H,66,0.8,d,6.4
H,67,0.8,d,6.4
H,68,,,
H,69,4.28,t,6.2
H,70,1.87,dd,"6.2,5.9"
H,71,1.87,dd,"6.2,5.9"
H,72,1.67,m,"6.4,5.9"
H,73,0.8,d,6.4
H,74,0.8,d,6.4
H,75,0.8,d,6.4
H,76,0.8,d,6.4
H,77,0.8,d,6.4
H,78,0.8,d,6.4
H,79,,,
H,80,4.28,t,6.3
H,81,3.5,d,6.3
H,82,3.5,d,6.3
H,83,7.01,ddd,"7.8,1.9,0.5"
H,84,6.71,ddd,"7.8,2.4,0.5"
H,85,3.01,s,
H,86,3.01,s,
H,87,3.01,s,
H,88,3.01,s,
H,89,3.01,s,
H,90,3.01,s,
H,91,6.71,ddd,"8.9,2.4,0.5"
H,92,7.01,ddd,"8.9,1.9,0.5"
H,93,,,
H,94,4.28,t,6.2
H,95,1.87,dd,"6.2,5.9"
H,96,1.87,dd,"6.2,5.9"
H,97,1.67,m,"6.4,5.9"
H,98,0.8,d,6.4
H,99,0.8,d,6.4
H,100,0.8,d,6.4
H,101,0.8,d,6.4
H,102,0.8,d,6.4
H,103,0.8,d,6.4
H,104,,,
