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,31,63.5,s,
C,32,85.2,s,
O,33,,,
C,34,76.57,s,
O,35,,,
C,36,57.81,s,
C,37,51.51,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,48,81.34,s,
O,49,,,
C,50,57.68,s,
H,51,1.07,t,6.8
H,52,1.07,t,6.8
H,53,1.07,t,6.8
H,54,3.01,q,6.8
H,55,3.01,q,6.8
H,56,2.65,s,
H,57,2.65,s,
H,58,4.07,s,
H,59,4.07,s,
H,60,7.93,ddd,"8.1,1.4,0.5"
H,61,7.43,ddd,"8.1,7.2,1.4"
H,62,7.22,ddd,"9.3,7.2,1.4"
H,63,7.15,ddd,"9.3,1.4,0.5"
H,64,9.48,s,
H,65,2.8,qt,"6.7,6.4"
H,66,1.26,d,6.7
H,67,1.26,d,6.7
H,68,1.26,d,6.7
H,69,2.7,d,6.4
H,70,2.7,d,6.4
H,71,6.94,s,
H,72,6.94,s,
H,73,2.17,ddd,"12.7,12.4,8.3"
H,74,2.17,ddd,"12.4,6.5,1.2"
H,75,1.79,m,
H,76,1.79,m,
H,77,3.43,dd,"12.2,4.0"
H,78,3.09,s,
H,79,3.09,s,
H,80,3.09,s,
H,81,3.02,s,
H,82,,,
H,83,3.92,d,2.3
H,84,3.41,s,
H,85,3.41,s,
H,86,3.41,s,
H,87,1.72,d,2.3
H,88,,,
H,89,2.69,dd,"12.4,8.0"
H,90,2.69,dd,"12.4,8.0"
H,91,3.31,td,"8.0,2.7"
H,92,3.27,s,
H,93,3.27,s,
H,94,3.27,s,
H,95,2.38,m,
H,96,2.0,ddd,"12.4,8.7,1.4"
H,97,2.0,ddd,"12.4,10.2,9.8"
H,98,1.92,ddd,"9.8,8.7,5.5"
H,99,3.12,dd,"5.9,5.5"
H,100,3.6,dd,"5.9,4.4"
H,101,3.36,s,
H,102,3.36,s,
H,103,3.36,s,
