C,1,20.3,s,
C,2,31.5,s,
C,3,68.4,s,
N,4,,,
C,5,165.45,s,
C,6,194.75,s,
O,7,,,
C,8,47.07,s,
C,9,13.24,s,
C,10,50.54,s,
C,11,26.26,s,
C,12,24.74,s,
C,13,56.93,s,
C,14,39.4,s,
C,15,47.4,s,
C,16,,,
O,17,,,
C,18,57.5,s,
C,19,27.3,s,
C,20,78.6,s,
O,21,,,
C,22,103.2,s,
O,23,,,
C,24,78.4,s,
C,25,62.49,s,
O,26,,,
C,27,71.36,s,
O,28,,,
C,29,78.8,s,
O,30,,,
C,31,75.4,s,
O,32,,,
C,33,29.9,s,
C,34,37.7,s,
C,35,42.2,s,
C,36,13.3,s,
C,37,54.8,s,
C,38,22.6,s,
C,39,38.07,s,
C,40,37.91,s,
C,41,16.96,s,
C,42,34.13,s,
H,43,0.9,d,6.4
H,44,0.9,d,6.4
H,45,0.9,d,6.4
H,46,2.13,m,"12.3,11.1,6.4,5.9"
H,47,3.92,dd,"12.4,11.1"
H,48,3.92,dd,"12.4,6.4"
H,49,2.78,qd,"6.7,5.7"
H,50,1.09,d,6.7
H,51,1.09,d,6.7
H,52,1.09,d,6.7
H,53,1.61,ddd,"9.5,5.7,2.9"
H,54,1.48,m,
H,55,1.48,m,
H,56,1.32,m,
H,57,1.32,dtd,"13.6,12.4,6.0"
H,58,1.31,ddd,"12.4,10.2,3.1"
H,59,1.59,m,
H,60,2.21,dd,"15.4,12.4"
H,61,2.21,dd,"15.4,6.8"
H,62,2.66,dd,"10.6,1.4"
H,63,1.88,ddd,"12.4,8.1,1.4"
H,64,1.88,ddd,"12.4,10.6,10.2"
H,65,3.9,m,
H,66,4.95,d,3.4
H,67,3.63,dt,"7.0,5.4"
H,68,4.04,d,5.4
H,69,4.04,d,5.4
H,70,,,
H,71,4.19,dd,"7.0,2.2"
H,72,,,
H,73,3.84,dd,"2.2,0.8"
H,74,,,
H,75,3.62,dd,"3.4,0.8"
H,76,,,
H,77,1.94,m,
H,78,1.94,m,
H,79,1.61,ddd,"13.9,12.4,4.3"
H,80,1.61,ddd,"12.4,4.6,4.1"
H,81,0.82,s,
H,82,0.82,s,
H,83,0.82,s,
H,84,0.9,ddd,"12.1,11.2,0.5"
H,85,1.46,m,
H,86,1.46,m,
H,87,1.17,ddd,"12.4,6.3,3.3"
H,88,1.17,ddd,"13.8,12.4,1.5"
H,89,1.02,s,
H,90,1.02,s,
H,91,1.02,s,
H,92,2.65,dd,"12.4,5.9"
H,93,2.65,dd,"12.4,12.3"
