C,1,18.29,s,
C,2,77.38,s,
O,3,,,
C,4,70.43,s,
C,5,38.77,s,
C,6,65.7,s,
N,7,,,
C,8,142.9,s,
C,9,115.48,s,
C,10,130.88,s,
C,11,122.44,s,
C,12,124.58,s,
C,13,134.28,s,
C,14,52.77,s,
C,15,42.03,s,
C,16,49.76,s,
N,17,,,
C,18,64.27,s,
C,19,36.24,s,
C,20,37.9,s,
C,21,40.4,s,
C,22,61.6,s,
C,23,133.12,s,
C,24,132.53,s,
C,25,132.07,s,
C,26,141.72,s,
N,27,,,
C,28,49.76,s,
C,29,42.03,s,
C,30,52.77,s,
C,31,134.28,s,
C,32,124.58,s,
C,33,122.44,s,
C,34,130.88,s,
C,35,115.48,s,
C,36,142.9,s,
N,37,,,
C,38,65.7,s,
C,39,34.9,s,
C,40,64.67,s,
O,41,,,
C,42,33.48,s,
C,43,26.71,s,
C,44,64.27,s,
H,45,1.37,d,6.1
H,46,1.37,d,6.1
H,47,1.37,d,6.1
H,48,4.58,dq,"9.0,6.1"
H,49,4.04,dd,"9.4,2.5"
H,50,4.04,dd,"9.4,9.3"
H,51,2.27,m,
H,52,4.28,d,6.6
H,53,,,
H,54,7.15,ddd,"7.4,1.4,0.5"
H,55,7.22,ddd,"7.9,7.4,1.4"
H,56,6.94,ddd,"7.9,6.7,1.4"
H,57,7.25,ddd,"6.7,1.4,0.5"
H,58,1.85,ddd,"12.4,9.9,2.1"
H,59,1.85,ddd,"12.4,10.7,8.1"
H,60,3.34,ddd,"10.7,9.4,2.1"
H,61,3.34,ddd,"9.9,9.4,8.1"
H,62,3.78,dd,"3.8,2.1"
H,63,1.87,ddd,"12.4,3.8,2.9"
H,64,1.87,ddd,"12.4,3.4,2.1"
H,65,1.59,m,
H,66,2.83,td,"9.0,1.9"
H,67,4.56,dd,"7.0,1.9"
H,68,5.07,dd,"16.0,7.0"
H,69,6.9,d,16.0
H,70,7.61,s,
H,71,3.34,ddd,"12.4,10.5,1.2"
H,72,3.34,ddd,"12.4,10.7,9.1"
H,73,1.85,ddd,"12.4,9.1,1.2"
H,74,1.85,ddd,"12.4,10.7,10.5"
H,75,7.25,ddd,"8.4,1.4,0.5"
H,76,6.94,ddd,"8.4,7.5,1.4"
H,77,7.22,ddd,"7.7,7.5,1.4"
H,78,7.15,ddd,"7.7,1.4,0.5"
H,79,,,
H,80,4.28,d,1.4
H,81,2.83,dtd,"9.9,5.8,1.4"
H,82,3.72,d,5.8
H,83,3.72,d,5.8
H,84,,,
H,85,3.09,ddd,"9.9,4.1,2.6"
H,86,1.88,ddd,"12.4,4.1,0.9"
H,87,1.88,ddd,"12.4,4.5,2.6"
H,88,3.78,dd,"4.5,0.9"
