C,1,11.57,s,
C,2,26.13,s,
C,3,138.83,s,
C,4,132.74,s,
C,5,40.3,s,
C,6,53.83,s,
N,7,,,
C,8,51.67,s,
C,9,53.95,s,
C,10,111.92,s,
C,11,134.49,s,
N,12,,,
C,13,136.3,s,
C,14,112.3,s,
C,15,122.5,s,
C,16,119.86,s,
C,17,118.67,s,
C,18,129.59,s,
C,19,56.39,s,
C,20,175.11,s,
O,21,,,
O,22,,,
C,23,52.36,s,
C,24,121.86,s,
C,25,124.39,s,
C,26,123.92,s,
C,27,153.8,s,
C,28,94.57,s,
C,29,158.98,s,
O,30,,,
C,31,56.29,s,
N,32,,,
C,33,38.53,s,
C,34,83.82,s,
C,35,80.64,s,
O,36,,,
C,37,171.2,s,
O,38,,,
O,39,,,
C,40,51.87,s,
C,41,76.63,s,
O,42,,,
C,43,171.37,s,
C,44,20.93,s,
O,45,,,
C,46,43.54,s,
C,47,30.96,s,
C,48,7.91,s,
C,49,130.76,s,
C,50,124.33,s,
C,51,50.96,s,
N,52,,,
C,53,50.44,s,
C,54,45.65,s,
C,55,54.09,s,
C,56,65.33,s,
C,57,42.11,s,
H,58,1.4,t,7.2
H,59,1.4,t,7.2
H,60,1.4,t,7.2
H,61,3.22,q,7.2
H,62,3.22,q,7.2
H,63,5.92,d,5.6
H,64,3.34,m,
H,65,3.31,dd,"12.4,2.6"
H,66,3.31,dd,"12.4,4.1"
H,67,3.82,s,
H,68,3.82,s,
H,69,4.25,s,
H,70,4.25,s,
H,71,,,
H,72,7.35,ddd,"7.3,1.4,0.5"
H,73,7.18,td,"7.3,1.4"
H,74,7.05,ddd,"8.1,7.3,1.4"
H,75,7.37,ddd,"8.1,1.4,0.5"
H,76,3.63,s,
H,77,3.63,s,
H,78,3.63,s,
H,79,7.2,d,0.5
H,80,7.09,d,0.5
H,81,3.84,s,
H,82,3.84,s,
H,83,3.84,s,
H,84,3.18,s,
H,85,3.18,s,
H,86,3.18,s,
H,87,3.41,s,
H,88,,,
H,89,3.81,s,
H,90,3.81,s,
H,91,3.81,s,
H,92,4.76,s,
H,93,2.1,s,
H,94,2.1,s,
H,95,2.1,s,
H,96,1.63,q,7.1
H,97,1.63,q,7.1
H,98,0.77,t,7.1
H,99,0.77,t,7.1
H,100,0.77,t,7.1
H,101,6.3,d,11.0
H,102,5.59,ddd,"11.0,5.8,2.6"
H,103,4.04,dd,"15.4,2.6"
H,104,4.04,dd,"15.4,5.8"
H,105,3.11,ddd,"12.4,9.4,7.5"
H,106,3.11,ddd,"9.4,7.3,0.5"
H,107,1.89,ddd,"12.4,7.5,0.5"
H,108,1.89,td,"12.4,7.3"
H,109,4.28,s,
H,110,2.04,dd,"12.4,4.1"
H,111,2.04,dd,"12.4,11.9"
