C,1,22.39,s,
C,2,25.55,s,
C,3,22.39,s,
C,4,40.8,s,
C,5,53.6,s,
N,6,,,
C,7,171.8,s,
O,8,,,
C,9,54.51,s,
C,10,25.97,s,
C,11,110.12,s,
C,12,123.08,s,
N,13,,,
C,14,136.07,s,
C,15,111.5,s,
C,16,121.51,s,
C,17,119.23,s,
C,18,118.23,s,
C,19,127.15,s,
N,20,,,
C,21,174.2,s,
O,22,,,
C,23,48.32,s,
C,24,17.48,s,
N,25,,,
C,26,172.18,s,
O,27,,,
C,28,50.77,s,
C,29,36.51,s,
C,30,173.93,s,
N,31,,,
O,32,,,
N,33,,,
C,34,172.7,s,
O,35,,,
C,36,63.2,s,
C,37,29.4,s,
C,38,24.7,s,
C,39,48.2,s,
N,40,,,
C,41,169.5,s,
O,42,,,
C,43,57.01,s,
C,44,66.68,s,
C,45,19.32,s,
O,46,,,
N,47,,,
C,48,168.97,s,
O,49,,,
C,50,42.24,s,
N,51,,,
C,52,176.4,s,
O,53,,,
H,54,0.82,d,6.4
H,55,0.82,d,6.4
H,56,0.82,d,6.4
H,57,1.47,m,"6.4,5.9"
H,58,0.82,d,6.4
H,59,0.82,d,6.4
H,60,0.82,d,6.4
H,61,1.64,dd,"6.2,5.9"
H,62,1.64,dd,"6.2,5.9"
H,63,4.03,dt,"7.0,6.2"
H,64,8.13,d,7.0
H,65,5.2,dt,"7.0,6.3"
H,66,4.0,d,6.3
H,67,4.0,d,6.3
H,68,7.31,d,0.5
H,69,,,
H,70,7.34,ddd,"8.1,1.4,0.5"
H,71,7.14,ddd,"8.1,6.6,1.4"
H,72,7.01,ddd,"7.9,6.6,1.4"
H,73,7.57,ddt,"7.9,1.4,0.5"
H,74,8.13,d,7.0
H,75,4.26,dq,"7.0,6.6"
H,76,1.24,d,6.6
H,77,1.24,d,6.6
H,78,1.24,d,6.6
H,79,8.03,d,7.0
H,80,4.82,dt,"7.0,6.3"
H,81,2.76,d,6.3
H,82,2.76,d,6.3
H,83,7.28,s,
H,84,7.28,s,
H,85,8.13,d,7.0
H,86,4.5,dd,"6.7,0.8"
H,87,2.04,m,
H,88,2.04,m,
H,89,1.96,m,
H,90,1.96,m,
H,91,3.7,ddd,"12.4,11.0,5.3"
H,92,3.7,ddd,"12.4,11.4,2.9"
H,93,4.48,dd,"7.0,5.1"
H,94,4.16,qd,"6.1,5.1"
H,95,1.15,d,6.1
H,96,1.15,d,6.1
H,97,1.15,d,6.1
H,98,,,
H,99,6.81,d,7.0
H,100,4.02,d,7.0
H,101,4.02,d,7.0
H,102,8.22,t,7.0
