C,1,17.0,s,
C,2,50.5,s,
N,3,,,
C,4,74.8,s,
O,5,,,
C,6,32.5,s,
C,7,24.74,s,
C,8,28.74,s,
C,9,29.61,s,
C,10,26.9,s,
C,11,26.72,s,
C,12,25.6,s,
C,13,41.2,s,
C,14,,,
O,15,,,
C,16,41.2,s,
C,17,25.6,s,
C,18,26.72,s,
C,19,26.9,s,
C,20,29.62,s,
C,21,29.65,s,
C,22,29.55,s,
C,23,29.26,s,
C,24,29.55,s,
C,25,28.63,s,
C,26,29.61,s,
C,27,28.74,s,
C,28,24.74,s,
C,29,30.57,s,
C,30,76.59,s,
O,31,,,
C,32,104.46,s,
O,33,,,
C,34,77.66,s,
C,35,62.49,s,
O,36,,,
C,37,70.68,s,
O,38,,,
C,39,77.38,s,
O,40,,,
C,41,73.99,s,
O,42,,,
C,43,50.5,s,
C,44,14.4,s,
N,45,,,
H,46,1.29,d,6.4
H,47,1.29,d,6.4
H,48,1.29,d,6.4
H,49,4.28,qd,"6.4,4.9"
H,50,,,
H,51,,,
H,52,4.22,td,"5.7,4.9"
H,53,,,
H,54,1.8,td,"6.6,5.7"
H,55,1.8,td,"6.6,5.7"
H,56,1.39,m,6.6
H,57,1.39,m,6.6
H,58,1.26,m,6.6
H,59,1.26,m,6.6
H,60,1.25,m,6.6
H,61,1.25,m,6.6
H,62,1.32,m,6.6
H,63,1.32,m,6.6
H,64,1.28,m,6.6
H,65,1.28,m,6.6
H,66,1.68,tt,"6.7,6.6"
H,67,1.68,tt,"6.7,6.6"
H,68,2.42,t,6.7
H,69,2.42,t,6.7
H,70,2.42,t,6.7
H,71,2.42,t,6.7
H,72,1.68,tt,"6.7,6.6"
H,73,1.68,tt,"6.7,6.6"
H,74,1.28,m,6.6
H,75,1.28,m,6.6
H,76,1.32,m,6.6
H,77,1.32,m,6.6
H,78,1.23,m,6.6
H,79,1.23,m,6.6
H,80,1.26,m,6.6
H,81,1.26,m,6.6
H,82,1.26,m,6.6
H,83,1.26,m,6.6
H,84,1.26,m,6.6
H,85,1.26,m,6.6
H,86,1.26,m,6.6
H,87,1.26,m,6.6
H,88,1.26,m,6.6
H,89,1.26,m,6.6
H,90,1.25,m,6.6
H,91,1.25,m,6.6
H,92,1.26,m,6.6
H,93,1.26,m,6.6
H,94,1.39,m,6.6
H,95,1.39,m,6.6
H,96,1.8,td,"6.6,5.7"
H,97,1.8,td,"6.6,5.7"
H,98,4.89,td,"5.7,4.9"
H,99,5.28,d,9.1
H,100,3.63,td,"5.4,1.6"
H,101,4.04,d,5.4
H,102,4.04,d,5.4
H,103,,,
H,104,3.97,dd,"4.1,1.6"
H,105,,,
H,106,3.85,dd,"9.3,4.1"
H,107,,,
H,108,3.79,dd,"9.3,9.1"
H,109,,,
H,110,4.28,qd,"6.4,4.9"
H,111,1.29,d,6.4
H,112,1.29,d,6.4
H,113,1.29,d,6.4
H,114,,,
H,115,,,
