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,
C,18,16.48,s,
O,19,,,
C,20,27.85,s,
C,21,24.85,s,
C,22,78.41,s,
O,23,,,
C,24,57.07,s,
C,25,49.44,s,
C,26,63.5,s,
C,27,85.2,s,
O,28,,,
C,29,76.57,s,
O,30,,,
C,31,57.81,s,
C,32,51.51,s,
C,33,76.45,s,
O,34,,,
C,35,40.59,s,
C,36,82.75,s,
O,37,,,
C,38,56.14,s,
C,39,38.0,s,
C,40,29.6,s,
C,41,43.5,s,
C,42,48.16,s,
C,43,75.53,s,
O,44,,,
C,45,176.11,s,
O,46,,,
C,47,34.98,s,
C,48,18.44,s,
C,49,18.44,s,
H,50,1.07,t,6.8
H,51,1.07,t,6.8
H,52,1.07,t,6.8
H,53,3.01,q,6.8
H,54,3.01,q,6.8
H,55,2.65,s,
H,56,2.65,s,
H,57,4.07,s,
H,58,4.07,s,
H,59,7.87,ddd,"6.9,1.4,0.5"
H,60,7.11,ddd,"7.7,6.9,1.4"
H,61,7.51,ddd,"7.7,7.3,1.4"
H,62,7.48,ddd,"7.3,1.4,0.5"
H,63,2.13,s,
H,64,2.13,s,
H,65,2.13,s,
H,66,,,
H,67,2.17,ddd,"12.4,6.7,2.1"
H,68,2.17,ddd,"12.5,12.4,6.2"
H,69,1.79,m,
H,70,1.79,m,
H,71,3.43,dd,"11.3,6.3"
H,72,3.09,s,
H,73,3.09,s,
H,74,3.09,s,
H,75,3.02,s,
H,76,,,
H,77,3.92,d,1.1
H,78,3.41,s,
H,79,3.41,s,
H,80,3.41,s,
H,81,1.72,d,1.1
H,82,,,
H,83,2.69,dd,"12.4,4.8"
H,84,2.69,dd,"12.4,9.7"
H,85,3.31,ddd,"9.7,4.8,1.4"
H,86,3.27,s,
H,87,3.27,s,
H,88,3.27,s,
H,89,2.38,m,
H,90,2.04,ddd,"12.4,6.2,1.1"
H,91,2.04,ddd,"12.4,11.0,8.7"
H,92,2.08,ddd,"11.0,8.1,6.2"
H,93,3.07,dd,"8.1,6.2"
H,94,4.76,dd,"6.2,4.2"
H,95,2.54,m,6.6
H,96,1.14,d,6.6
H,97,1.14,d,6.6
H,98,1.14,d,6.6
H,99,1.14,d,6.6
H,100,1.14,d,6.6
H,101,1.14,d,6.6
