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,8,58.75,s,
C,9,21.34,s,
C,10,109.56,s,
C,11,140.19,s,
N,12,,,
C,13,134.7,s,
C,14,110.2,s,
C,15,121.3,s,
C,16,118.9,s,
C,17,117.7,s,
C,18,128.4,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,
C,58,55.2,s,
H,59,1.4,t,7.2
H,60,1.4,t,7.2
H,61,1.4,t,7.2
H,62,3.22,q,7.2
H,63,3.22,q,7.2
H,64,5.92,d,5.3
H,65,3.34,m,
H,66,3.31,dd,"12.4,6.2"
H,67,3.31,dd,"12.4,0.7"
H,68,3.34,ddd,"12.4,12.2,5.1"
H,69,3.34,ddd,"12.4,6.9,3.2"
H,70,3.15,ddd,"15.4,12.2,6.9"
H,71,3.15,ddd,"15.4,5.1,3.2"
H,72,,,
H,73,7.35,ddd,"6.5,1.4,0.5"
H,74,7.18,ddd,"7.4,6.5,1.4"
H,75,7.13,ddd,"9.4,7.4,1.4"
H,76,7.52,ddd,"9.4,1.4,0.5"
H,77,3.63,s,
H,78,3.63,s,
H,79,3.63,s,
H,80,7.2,d,0.5
H,81,7.09,d,0.5
H,82,3.84,s,
H,83,3.84,s,
H,84,3.84,s,
H,85,3.18,s,
H,86,3.18,s,
H,87,3.18,s,
H,88,3.41,s,
H,89,,,
H,90,3.81,s,
H,91,3.81,s,
H,92,3.81,s,
H,93,4.76,s,
H,94,2.1,s,
H,95,2.1,s,
H,96,2.1,s,
H,97,1.63,q,7.1
H,98,1.63,q,7.1
H,99,0.77,t,7.1
H,100,0.77,t,7.1
H,101,0.77,t,7.1
H,102,6.3,d,9.4
H,103,5.59,ddd,"9.4,6.4,4.0"
H,104,4.04,dd,"15.4,6.4"
H,105,4.04,dd,"15.4,4.0"
H,106,3.11,ddd,"13.2,9.4,5.5"
H,107,3.11,ddd,"9.4,6.9,0.7"
H,108,1.89,ddd,"12.4,5.5,0.7"
H,109,1.89,ddd,"13.2,12.4,6.9"
H,110,4.28,s,
H,111,2.04,dd,"12.4,0.3"
H,112,2.04,dd,"12.4,11.6"
H,113,3.82,s,
H,114,3.82,s,
