C,1,28.73,s,
N,2,,,
C,3,61.74,s,
C,4,49.05,s,
N,5,,,
C,6,55.67,s,
C,7,18.05,s,
C,8,36.08,s,
C,9,66.89,s,
O,10,,,
C,11,171.0,s,
O,12,,,
C,13,60.44,s,
C,14,27.25,s,
C,15,17.42,s,
C,16,17.42,s,
N,17,,,
C,18,41.56,s,
C,19,41.56,s,
C,20,35.59,s,
C,21,58.68,s,
C,22,41.07,s,
C,23,77.48,s,
O,24,,,
C,25,41.86,s,
C,26,23.79,s,
C,27,23.79,s,
C,28,41.86,s,
C,29,48.2,s,
C,30,162.36,s,
O,31,,,
N,32,,,
C,33,143.9,s,
C,34,122.0,s,
C,35,196.94,s,
O,36,,,
C,37,62.34,s,
O,38,,,
C,39,58.87,s,
C,40,22.1,s,
C,41,22.1,s,
C,42,126.49,s,
C,43,126.88,s,
C,44,124.58,s,
C,45,134.28,s,
H,46,2.63,s,
H,47,2.63,s,
H,48,2.63,s,
H,49,,,
H,50,3.01,s,
H,51,3.01,s,
H,52,4.09,dqd,"11.3,6.2,5.0"
H,53,1.22,d,6.2
H,54,1.22,d,6.2
H,55,1.22,d,6.2
H,56,2.2,ddd,"12.4,5.0,4.7"
H,57,2.2,ddd,"12.4,11.8,11.3"
H,58,5.05,m,
H,59,4.45,d,5.3
H,60,2.14,m,"6.4,5.3"
H,61,1.08,d,6.4
H,62,1.08,d,6.4
H,63,1.08,d,6.4
H,64,1.08,d,6.4
H,65,1.08,d,6.4
H,66,1.08,d,6.4
H,67,2.38,s,
H,68,2.38,s,
H,69,2.38,s,
H,70,2.38,s,
H,71,2.38,s,
H,72,2.38,s,
H,73,2.13,ddd,"12.4,12.3,9.7"
H,74,2.13,ddd,"12.4,4.5,3.0"
H,75,3.77,m,
H,76,2.49,dd,"12.4,11.4"
H,77,2.49,dd,"12.4,5.7"
H,78,,,
H,79,1.13,s,
H,80,1.13,s,
H,81,1.13,s,
H,82,1.13,s,
H,83,1.13,s,
H,84,1.13,s,
H,85,2.05,s,
H,86,2.05,s,
H,87,,,
H,88,3.35,s,
H,89,1.24,s,
H,90,1.24,s,
H,91,1.24,s,
H,92,1.24,s,
H,93,1.24,s,
H,94,1.24,s,
H,95,7.71,dd,"7.8,1.4"
H,96,7.43,dd,"7.8,6.6"
H,97,7.25,dd,"6.6,1.4"
