C,1,7.0,s,
C,2,34.1,s,
C,3,69.0,s,
O,4,,,
C,5,37.71,s,
C,6,36.36,s,
C,7,59.1,s,
N,8,,,
C,9,49.76,s,
C,10,21.34,s,
C,11,109.56,s,
C,12,140.19,s,
N,13,,,
C,14,134.7,s,
C,15,110.2,s,
C,16,121.3,s,
C,17,118.9,s,
C,18,117.7,s,
C,19,128.4,s,
C,20,56.39,s,
C,21,175.11,s,
O,22,,,
O,23,,,
C,24,52.36,s,
C,25,121.86,s,
C,26,124.39,s,
C,27,123.92,s,
C,28,153.8,s,
C,29,94.57,s,
C,30,158.98,s,
O,31,,,
C,32,56.29,s,
N,33,,,
C,34,38.53,s,
C,35,83.82,s,
C,36,80.64,s,
O,37,,,
C,38,171.2,s,
O,39,,,
O,40,,,
C,41,51.87,s,
C,42,76.63,s,
O,43,,,
C,44,171.37,s,
C,45,20.93,s,
O,46,,,
C,47,43.54,s,
C,48,30.96,s,
C,49,7.91,s,
C,50,130.76,s,
C,51,124.33,s,
C,52,50.96,s,
N,53,,,
C,54,50.44,s,
C,55,45.65,s,
C,56,54.09,s,
C,57,65.33,s,
C,58,35.72,s,
C,59,62.8,s,
H,60,0.93,t,7.1
H,61,0.93,t,7.1
H,62,0.93,t,7.1
H,63,1.79,q,7.1
H,64,1.79,q,7.1
H,65,,,
H,66,1.96,dd,"12.4,9.1"
H,67,1.96,dd,"12.4,1.4"
H,68,1.65,m,
H,69,3.31,dd,"12.4,4.7"
H,70,3.31,dd,"12.4,1.4"
H,71,3.34,ddd,"12.4,8.7,1.5"
H,72,3.34,ddd,"12.4,11.5,1.3"
H,73,3.15,ddd,"15.4,11.5,1.5"
H,74,3.15,ddd,"15.4,8.7,1.3"
H,75,,,
H,76,7.35,ddd,"7.7,1.4,0.5"
H,77,7.18,ddd,"7.9,7.7,1.4"
H,78,7.13,ddd,"7.9,6.9,1.4"
H,79,7.52,ddd,"6.9,1.4,0.5"
H,80,3.63,s,
H,81,3.63,s,
H,82,3.63,s,
H,83,7.2,d,0.5
H,84,7.09,d,0.5
H,85,3.84,s,
H,86,3.84,s,
H,87,3.84,s,
H,88,3.18,s,
H,89,3.18,s,
H,90,3.18,s,
H,91,3.41,s,
H,92,,,
H,93,3.81,s,
H,94,3.81,s,
H,95,3.81,s,
H,96,4.76,s,
H,97,2.1,s,
H,98,2.1,s,
H,99,2.1,s,
H,100,1.63,q,7.1
H,101,1.63,q,7.1
H,102,0.77,t,7.1
H,103,0.77,t,7.1
H,104,0.77,t,7.1
H,105,6.3,d,11.0
H,106,5.59,ddd,"11.0,5.8,2.6"
H,107,4.04,dd,"15.4,5.8"
H,108,4.04,dd,"15.4,2.6"
H,109,3.11,ddd,"10.8,9.4,3.1"
H,110,3.11,ddd,"11.1,9.4,5.8"
H,111,1.89,ddd,"12.4,10.8,5.8"
H,112,1.89,ddd,"12.4,11.1,3.1"
H,113,4.28,s,
H,114,2.05,dd,"12.4,11.0"
H,115,2.05,dd,"12.4,0.6"
H,116,3.05,s,
H,117,3.05,s,
