C,1,22.39,s,
C,2,24.0,s,
C,3,22.39,s,
C,4,40.9,s,
C,5,50.7,s,
N,6,,,
C,7,168.4,s,
O,8,,,
C,9,42.24,s,
N,10,,,
C,11,171.9,s,
O,12,,,
C,13,59.9,s,
C,14,28.9,s,
C,15,24.54,s,
C,16,46.98,s,
N,17,,,
C,18,171.23,s,
O,19,,,
C,20,51.94,s,
C,21,36.41,s,
C,22,137.5,s,
C,23,129.15,s,
C,24,128.7,s,
C,25,126.94,s,
C,26,128.7,s,
C,27,129.15,s,
N,28,,,
C,29,174.2,s,
O,30,,,
C,31,48.32,s,
C,32,17.48,s,
N,33,,,
C,34,172.18,s,
O,35,,,
C,36,54.82,s,
C,37,36.98,s,
C,38,138.15,s,
C,39,128.66,s,
C,40,128.7,s,
C,41,126.94,s,
C,42,128.7,s,
C,43,128.66,s,
N,44,,,
C,45,170.26,s,
O,46,,,
C,47,55.08,s,
C,48,61.52,s,
O,49,,,
N,50,,,
C,51,172.18,s,
O,52,,,
H,53,0.82,d,6.4
H,54,0.82,d,6.4
H,55,0.82,d,6.4
H,56,1.47,m,"6.4,5.9"
H,57,0.82,d,6.4
H,58,0.82,d,6.4
H,59,0.82,d,6.4
H,60,1.64,dd,"6.2,5.9"
H,61,1.64,dd,"6.2,5.9"
H,62,4.03,dt,"7.0,6.2"
H,63,7.93,d,7.0
H,64,3.8,d,7.0
H,65,3.8,d,7.0
H,66,8.17,t,7.0
H,67,4.31,dd,"8.2,1.3"
H,68,1.94,m,
H,69,1.94,ddt,"12.4,4.9,1.3"
H,70,1.96,m,
H,71,1.96,m,
H,72,3.6,ddd,"13.3,12.4,4.6"
H,73,3.6,ddd,"12.4,4.9,1.3"
H,74,4.64,dt,"7.0,6.3"
H,75,2.88,d,6.3
H,76,2.88,d,6.3
H,77,7.21,m,
H,78,7.24,m,
H,79,7.22,ddt,"8.0,7.9,1.4"
H,80,7.24,m,
H,81,7.21,m,
H,82,8.13,d,7.0
H,83,4.26,dq,"7.0,6.6"
H,84,1.24,d,6.6
H,85,1.24,d,6.6
H,86,1.24,d,6.6
H,87,8.03,d,7.0
H,88,4.52,dt,"7.0,6.3"
H,89,2.96,d,6.3
H,90,2.96,d,6.3
H,91,7.21,m,
H,92,7.24,m,
H,93,7.22,ddt,"8.4,7.7,1.4"
H,94,7.24,m,
H,95,7.21,m,
H,96,8.01,d,7.0
H,97,4.23,dt,"7.0,5.9"
H,98,3.6,d,5.9
H,99,3.6,d,5.9
H,100,,,
H,101,8.07,d,7.0
