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,10,113.97,s,
C,11,130.62,s,
C,12,120.85,s,
C,13,132.76,s,
C,14,124.0,s,
C,15,145.91,s,
N,16,,,
C,17,162.36,s,
O,18,,,
C,19,30.5,s,
C,20,38.14,s,
C,21,16.5,s,
C,22,181.61,s,
O,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,48,75.53,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,62,7.87,ddd,"8.0,1.4,0.5"
H,63,7.11,ddd,"8.6,8.0,1.4"
H,64,7.51,ddd,"8.6,7.4,1.4"
H,65,7.48,ddd,"7.4,1.4,0.5"
H,66,,,
H,67,2.05,d,6.4
H,68,2.05,d,6.4
H,69,2.41,qt,"6.7,6.4"
H,70,1.17,d,6.7
H,71,1.17,d,6.7
H,72,1.17,d,6.7
H,73,,,
H,74,2.17,ddd,"12.4,11.4,6.6"
H,75,2.17,ddd,"12.4,12.0,2.6"
H,76,1.79,m,
H,77,1.79,m,
H,78,3.43,dd,"4.8,2.5"
H,79,3.09,s,
H,80,3.09,s,
H,81,3.09,s,
H,82,3.02,s,
H,83,,,
H,84,3.92,d,2.1
H,85,3.41,s,
H,86,3.41,s,
H,87,3.41,s,
H,88,1.72,d,2.1
H,89,,,
H,90,2.69,dd,"12.4,9.6"
H,91,2.69,dd,"12.4,1.0"
H,92,3.31,ddd,"9.6,2.6,1.0"
H,93,3.27,s,
H,94,3.27,s,
H,95,3.27,s,
H,96,2.38,m,
H,97,2.04,ddd,"12.4,8.5,2.2"
H,98,2.04,ddd,"12.4,10.0,9.9"
H,99,2.08,ddd,"9.9,8.5,7.4"
H,100,3.07,dd,"7.4,6.7"
H,101,4.75,dd,"6.7,5.6"
H,102,2.04,s,
H,103,2.04,s,
H,104,2.04,s,
