C,1,13.7,s,
C,2,50.7,s,
N,3,,,
C,4,56.35,s,
C,5,38.5,s,
C,6,72.44,s,
O,7,,,
C,8,166.82,s,
O,9,,,
C,10,115.59,s,
C,11,130.89,s,
C,12,120.26,s,
C,13,134.32,s,
C,14,120.3,s,
C,15,140.3,s,
N,16,,,
C,17,175.06,s,
O,18,,,
C,19,35.32,s,
C,20,15.77,s,
C,21,37.99,s,
C,22,165.4,s,
N,23,,,
O,24,,,
C,25,27.85,s,
C,26,24.85,s,
C,27,78.41,s,
O,28,,,
C,29,57.07,s,
C,30,49.44,s,
C,31,51.51,s,
C,32,76.57,s,
O,33,,,
C,34,57.81,s,
C,35,85.2,s,
O,36,,,
C,37,63.5,s,
C,38,76.45,s,
O,39,,,
C,40,40.59,s,
C,41,82.75,s,
O,42,,,
C,43,56.14,s,
C,44,38.0,s,
C,45,29.6,s,
C,46,43.5,s,
C,47,48.16,s,
C,48,75.53,s,
O,49,,,
C,50,170.26,s,
C,51,21.83,s,
O,52,,,
H,53,1.07,t,6.8
H,54,1.07,t,6.8
H,55,1.07,t,6.8
H,56,3.01,q,6.8
H,57,3.01,q,6.8
H,58,2.65,s,
H,59,2.65,s,
H,60,4.07,s,
H,61,4.07,s,
H,62,7.93,ddd,"9.2,1.4,0.5"
H,63,7.43,ddd,"9.2,5.6,1.4"
H,64,7.22,ddd,"10.3,5.6,1.4"
H,65,7.15,ddd,"10.3,1.4,0.5"
H,66,9.48,s,
H,67,2.8,qt,"6.7,6.4"
H,68,1.26,d,6.7
H,69,1.26,d,6.7
H,70,1.26,d,6.7
H,71,2.7,d,6.4
H,72,2.7,d,6.4
H,73,6.94,s,
H,74,6.94,s,
H,75,2.17,ddd,"12.4,6.0,2.5"
H,76,2.17,td,"12.4,4.0"
H,77,1.79,tdd,"12.4,9.3,6.0"
H,78,1.79,m,
H,79,3.43,dd,"9.3,1.8"
H,80,3.09,s,
H,81,3.09,s,
H,82,3.09,s,
H,83,1.72,d,9.0
H,84,3.92,d,9.0
H,85,3.41,s,
H,86,3.41,s,
H,87,3.41,s,
H,88,,,
H,89,3.02,s,
H,90,,,
H,91,2.69,dd,"12.4,9.8"
H,92,2.69,dd,"12.4,4.5"
H,93,3.31,ddd,"9.8,4.5,2.5"
H,94,3.27,s,
H,95,3.27,s,
H,96,3.27,s,
H,97,2.38,m,
H,98,2.04,ddd,"12.4,9.9,9.0"
H,99,2.04,ddd,"12.4,9.8,1.0"
H,100,2.08,ddd,"9.9,9.8,6.0"
H,101,3.07,dd,"6.0,2.6"
H,102,4.75,dd,"2.6,0.4"
H,103,2.04,s,
H,104,2.04,s,
H,105,2.04,s,
