C,1,17.93,s,
C,2,69.19,s,
O,3,,,
C,4,100.26,s,
O,5,,,
C,6,99.8,s,
O,7,,,
C,8,75.22,s,
C,9,62.29,s,
O,10,,,
C,11,70.63,s,
O,12,,,
C,13,75.25,s,
O,14,,,
C,15,73.18,s,
O,16,,,
C,17,73.89,s,
O,18,,,
C,19,71.02,s,
O,20,,,
C,21,77.15,s,
O,22,,,
C,23,74.63,s,
C,24,29.35,s,
C,25,37.28,s,
C,26,36.88,s,
C,27,19.42,s,
C,28,140.22,s,
C,29,122.3,s,
C,30,32.8,s,
C,31,31.6,s,
C,32,50.8,s,
C,33,21.06,s,
C,34,40.11,s,
C,35,40.79,s,
C,36,16.66,s,
C,37,56.49,s,
C,38,32.26,s,
C,39,78.73,s,
O,40,,,
C,41,98.53,s,
C,42,31.73,s,
C,43,29.38,s,
C,44,30.61,s,
C,45,19.2,s,
C,46,47.94,s,
N,47,,,
C,48,41.73,s,
C,49,15.24,s,
C,50,62.66,s,
C,51,38.83,s,
H,52,1.32,d,6.1
H,53,1.32,d,6.1
H,54,1.32,d,6.1
H,55,3.83,dq,"7.6,6.1"
H,56,4.67,d,9.2
H,57,4.67,d,7.6
H,58,3.26,td,"5.4,0.5"
H,59,4.04,d,5.4
H,60,4.04,d,5.4
H,61,,,
H,62,3.99,dd,"2.7,0.5"
H,63,,,
H,64,3.32,dd,"7.5,2.7"
H,65,,,
H,66,3.23,dd,"7.6,7.5"
H,67,,,
H,68,3.81,dd,"9.2,0.3"
H,69,,,
H,70,3.91,dd,"1.1,0.3"
H,71,,,
H,72,4.7,dd,"7.6,1.1"
H,73,4.73,m,
H,74,1.94,m,
H,75,1.94,m,
H,76,1.61,ddd,"13.5,12.4,2.3"
H,77,1.61,ddd,"12.4,4.4,1.6"
H,78,0.99,s,
H,79,0.99,s,
H,80,0.99,s,
H,81,5.34,dd,"5.1,2.6"
H,82,1.79,ddd,"15.4,13.1,2.6"
H,83,1.79,ddd,"15.4,5.1,5.0"
H,84,1.64,m,
H,85,0.94,ddd,"11.5,3.6,1.4"
H,86,1.5,m,
H,87,1.5,m,
H,88,1.45,ddd,"12.4,11.2,9.3"
H,89,1.45,ddd,"12.4,7.1,1.6"
H,90,1.04,s,
H,91,1.04,s,
H,92,1.04,s,
H,93,1.1,ddd,"11.1,9.7,4.3"
H,94,2.02,ddd,"12.4,6.0,4.3"
H,95,2.02,ddd,"12.4,11.1,10.9"
H,96,4.88,ddd,"10.9,10.7,6.0"
H,97,2.1,ddd,"13.3,12.4,3.3"
H,98,2.1,ddd,"12.4,4.2,3.5"
H,99,1.58,m,
H,100,1.58,m,
H,101,2.13,m,
H,102,0.82,d,6.4
H,103,0.82,d,6.4
H,104,0.82,d,6.4
H,105,3.21,dd,"12.4,9.7"
H,106,3.21,dd,"12.4,3.2"
H,107,,,
H,108,2.83,dq,"8.0,6.7"
H,109,1.03,d,6.7
H,110,1.03,d,6.7
H,111,1.03,d,6.7
H,112,1.86,dd,"10.7,8.0"
H,113,2.39,dd,"15.4,6.5"
H,114,2.39,dd,"15.4,9.6"
