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,48,81.34,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,60,7.87,ddd,"6.8,1.4,0.5"
H,61,7.11,ddd,"7.6,6.8,1.4"
H,62,7.51,ddd,"8.0,7.6,1.4"
H,63,7.48,ddd,"8.0,1.4,0.5"
H,64,,,
H,65,2.05,d,6.4
H,66,2.05,d,6.4
H,67,2.41,qt,"6.7,6.4"
H,68,1.17,d,6.7
H,69,1.17,d,6.7
H,70,1.17,d,6.7
H,71,,,
H,72,2.17,ddd,"12.4,3.0,2.4"
H,73,2.17,ddd,"12.7,12.4,4.3"
H,74,1.79,m,
H,75,1.79,m,
H,76,3.43,dd,"11.5,6.6"
H,77,3.09,s,
H,78,3.09,s,
H,79,3.09,s,
H,80,3.02,s,
H,81,,,
H,82,3.92,d,0.5
H,83,3.41,s,
H,84,3.41,s,
H,85,3.41,s,
H,86,1.72,d,0.5
H,87,,,
H,88,2.69,dd,"12.4,4.6"
H,89,2.69,dd,"12.4,9.8"
H,90,3.31,ddd,"9.8,4.6,1.8"
H,91,3.27,s,
H,92,3.27,s,
H,93,3.27,s,
H,94,2.38,m,
H,95,2.0,ddd,"12.4,11.0,8.4"
H,96,2.0,ddd,"12.4,6.6,1.4"
H,97,1.92,ddd,"11.0,8.2,6.6"
H,98,3.12,dd,"8.2,6.1"
H,99,3.6,dd,"6.1,3.6"
H,100,3.36,s,
H,101,3.36,s,
H,102,3.36,s,
