C,1,16.3,s,
C,2,50.4,s,
N,3,,,
C,4,172.18,s,
O,5,,,
C,6,54.82,s,
C,7,36.98,s,
C,8,138.15,s,
C,9,128.66,s,
C,10,128.7,s,
C,11,126.94,s,
C,12,128.7,s,
C,13,128.66,s,
N,14,,,
C,15,170.52,s,
O,16,,,
C,17,53.35,s,
C,18,61.3,s,
O,19,,,
N,20,,,
C,21,168.63,s,
O,22,,,
C,23,114.84,s,
C,24,126.77,s,
C,25,122.22,s,
C,26,132.44,s,
C,27,121.11,s,
C,28,137.69,s,
N,29,,,
C,30,159.19,s,
O,31,,,
C,32,128.81,s,
C,33,117.49,s,
C,34,110.6,s,
C,35,129.27,s,
N,36,,,
C,37,137.3,s,
C,38,111.45,s,
C,39,120.28,s,
C,40,121.0,s,
C,41,119.74,s,
C,42,125.97,s,
N,43,,,
C,44,171.19,s,
O,45,,,
C,46,58.7,s,
C,47,66.68,s,
C,48,19.32,s,
O,49,,,
N,50,,,
C,51,173.1,s,
O,52,,,
H,53,1.24,d,6.6
H,54,1.24,d,6.6
H,55,1.24,d,6.6
H,56,4.21,dq,"7.0,6.6"
H,57,8.03,d,7.0
H,58,4.52,dt,"7.0,6.3"
H,59,2.96,d,6.3
H,60,2.96,d,6.3
H,61,7.21,m,
H,62,7.24,tdd,"7.6,1.4,0.5"
H,63,7.22,ddt,"8.0,7.6,1.4"
H,64,7.24,m,
H,65,7.21,m,
H,66,8.01,d,7.0
H,67,4.29,dt,"7.0,5.9"
H,68,3.6,d,5.9
H,69,3.6,d,5.9
H,70,,,
H,71,7.4,d,7.0
H,72,8.1,ddd,"8.7,1.4,0.5"
H,73,7.41,ddd,"8.7,7.1,1.4"
H,74,7.22,ddd,"8.1,7.1,1.4"
H,75,7.15,ddd,"8.1,1.4,0.5"
H,76,9.48,s,
H,77,7.07,s,
H,78,8.57,d,0.5
H,79,,,
H,80,7.4,ddd,"6.2,1.4,0.5"
H,81,7.14,ddd,"8.4,6.2,1.4"
H,82,7.08,ddd,"8.4,6.9,1.4"
H,83,7.84,ddt,"6.9,1.4,0.5"
H,84,9.22,s,
H,85,4.46,dd,"7.0,5.1"
H,86,4.16,qd,"6.1,5.1"
H,87,1.15,d,6.1
H,88,1.15,d,6.1
H,89,1.15,d,6.1
H,90,,,
H,91,7.57,d,7.0
