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,9,29.11,s,
C,10,26.72,s,
C,11,25.6,s,
C,12,41.2,s,
C,13,,,
O,14,,,
C,15,41.2,s,
C,16,25.6,s,
C,17,26.72,s,
C,18,26.9,s,
C,19,29.62,s,
C,20,29.65,s,
C,21,29.55,s,
C,22,29.26,s,
C,23,29.55,s,
C,24,28.63,s,
C,25,29.61,s,
C,26,28.74,s,
C,27,24.74,s,
C,28,30.57,s,
C,29,76.59,s,
O,30,,,
C,31,104.46,s,
O,32,,,
C,33,77.66,s,
C,34,62.49,s,
O,35,,,
C,36,70.68,s,
O,37,,,
C,38,77.38,s,
O,39,,,
C,40,73.99,s,
O,41,,,
C,42,50.5,s,
C,43,14.4,s,
N,44,,,
H,45,1.29,d,6.4
H,46,1.29,d,6.4
H,47,1.29,d,6.4
H,48,4.28,qd,"6.4,4.9"
H,49,,,
H,50,,,
H,51,4.22,td,"5.7,4.9"
H,52,,,
H,53,1.8,td,"6.6,5.7"
H,54,1.8,td,"6.6,5.7"
H,55,1.39,m,6.6
H,56,1.39,m,6.6
H,57,1.26,m,6.6
H,58,1.26,m,6.6
H,59,1.28,m,6.6
H,60,1.28,m,6.6
H,61,1.28,m,6.6
H,62,1.28,m,6.6
H,63,1.68,tt,"6.7,6.6"
H,64,1.68,tt,"6.7,6.6"
H,65,2.42,t,6.7
H,66,2.42,t,6.7
H,67,2.42,t,6.7
H,68,2.42,t,6.7
H,69,1.68,tt,"6.7,6.6"
H,70,1.68,tt,"6.7,6.6"
H,71,1.28,m,6.6
H,72,1.28,m,6.6
H,73,1.32,m,6.6
H,74,1.32,m,6.6
H,75,1.23,m,6.6
H,76,1.23,m,6.6
H,77,1.26,m,6.6
H,78,1.26,m,6.6
H,79,1.26,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,87,1.25,m,6.6
H,88,1.25,m,6.6
H,89,1.26,m,6.6
H,90,1.26,m,6.6
H,91,1.39,m,6.6
H,92,1.39,m,6.6
H,93,1.8,td,"6.6,5.7"
H,94,1.8,td,"6.6,5.7"
H,95,4.89,td,"5.7,4.9"
H,96,5.28,d,8.3
H,97,3.63,dt,"6.8,5.4"
H,98,4.04,d,5.4
H,99,4.04,d,5.4
H,100,,,
H,101,3.97,dd,"6.8,6.4"
H,102,,,
H,103,3.85,dd,"6.4,5.4"
H,104,,,
H,105,3.79,dd,"8.3,5.4"
H,106,,,
H,107,4.28,qd,"6.4,4.9"
H,108,1.29,d,6.4
H,109,1.29,d,6.4
H,110,1.29,d,6.4
H,111,,,
H,112,,,
