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,18,30.56,s,
C,19,18.38,s,
C,20,18.38,s,
N,21,,,
C,22,162.36,s,
O,23,,,
C,24,49.05,s,
N,25,,,
C,26,162.36,s,
O,27,,,
C,28,57.53,s,
C,29,36.24,s,
C,30,24.66,s,
C,31,22.42,s,
C,32,22.42,s,
N,33,,,
C,34,162.36,s,
O,35,,,
C,36,57.53,s,
C,37,29.71,s,
C,38,23.68,s,
C,39,47.03,s,
N,40,,,
C,41,169.5,s,
O,42,,,
C,43,57.53,s,
C,44,32.8,s,
C,45,134.98,s,
C,46,130.49,s,
C,47,115.71,s,
C,48,156.27,s,
O,49,,,
C,50,115.71,s,
C,51,130.49,s,
N,52,,,
C,53,162.36,s,
O,54,,,
H,55,0.8,d,6.4
H,56,0.8,d,6.4
H,57,0.8,d,6.4
H,58,1.67,m,"6.4,5.9"
H,59,0.8,d,6.4
H,60,0.8,d,6.4
H,61,0.8,d,6.4
H,62,1.87,dd,"6.2,5.9"
H,63,1.87,dd,"6.2,5.9"
H,64,4.28,t,6.2
H,65,,,
H,66,4.28,t,6.2
H,67,1.87,dd,"6.2,5.9"
H,68,1.87,dd,"6.2,5.9"
H,69,1.67,m,"6.4,5.9"
H,70,0.8,d,6.4
H,71,0.8,d,6.4
H,72,0.8,d,6.4
H,73,0.8,d,6.4
H,74,0.8,d,6.4
H,75,0.8,d,6.4
H,76,,,
H,77,4.03,d,5.4
H,78,2.19,m,"6.4,5.4"
H,79,0.82,d,6.4
H,80,0.82,d,6.4
H,81,0.82,d,6.4
H,82,0.82,d,6.4
H,83,0.82,d,6.4
H,84,0.82,d,6.4
H,85,,,
H,86,4.05,s,
H,87,4.05,s,
H,88,,,
H,89,4.28,t,6.2
H,90,1.87,dd,"6.2,5.9"
H,91,1.87,dd,"6.2,5.9"
H,92,1.67,m,"6.4,5.9"
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,97,0.8,d,6.4
H,98,0.8,d,6.4
H,99,,,
H,100,4.28,dd,"10.7,3.2"
H,101,1.84,m,
H,102,1.84,m,
H,103,1.9,m,
H,104,1.9,m,
H,105,3.7,ddd,"13.3,12.4,5.0"
H,106,3.7,ddd,"12.4,3.1,2.4"
H,107,3.58,t,6.2
H,108,3.5,d,6.2
H,109,3.5,d,6.2
H,110,7.03,ddd,"7.5,1.9,0.5"
H,111,6.69,ddd,"7.5,1.9,0.5"
H,112,,,
H,113,6.69,ddd,"7.9,1.9,0.5"
H,114,7.03,ddd,"7.9,1.9,0.5"
H,115,,,
