C,1,18.58,s,
C,2,30.25,s,
C,3,18.58,s,
C,4,58.42,s,
N,5,,,
C,6,171.7,s,
O,7,,,
C,8,54.82,s,
C,9,36.98,s,
C,10,138.15,s,
C,11,128.66,s,
C,12,128.7,s,
C,13,126.94,s,
C,14,128.7,s,
C,15,128.66,s,
N,16,,,
C,17,173.38,s,
O,18,,,
C,19,59.43,s,
C,20,28.44,s,
C,21,24.95,s,
C,22,46.98,s,
N,23,,,
C,24,171.17,s,
O,25,,,
C,26,53.22,s,
C,27,36.58,s,
C,28,172.92,s,
N,29,,,
O,30,,,
N,31,,,
C,32,171.0,s,
O,33,,,
C,34,58.42,s,
C,35,30.25,s,
C,36,18.58,s,
C,37,18.58,s,
N,38,,,
C,39,171.56,s,
O,40,,,
C,41,60.27,s,
C,42,29.14,s,
C,43,25.05,s,
C,44,47.47,s,
N,45,,,
C,46,169.5,s,
O,47,,,
C,48,54.8,s,
C,49,31.38,s,
C,50,18.7,s,
C,51,18.7,s,
N,52,,,
C,53,171.86,s,
O,54,,,
H,55,0.86,d,6.4
H,56,0.86,d,6.4
H,57,0.86,d,6.4
H,58,2.16,m,"6.4,5.5"
H,59,0.86,d,6.4
H,60,0.86,d,6.4
H,61,0.86,d,6.4
H,62,4.24,dd,"7.0,5.5"
H,63,8.05,d,7.0
H,64,4.52,dt,"7.0,6.3"
H,65,2.96,d,6.3
H,66,2.96,d,6.3
H,67,7.21,m,
H,68,7.24,m,
H,69,7.22,ddt,"8.0,7.7,1.4"
H,70,7.24,m,
H,71,7.21,m,
H,72,8.13,d,7.0
H,73,4.38,dd,"7.9,0.7"
H,74,2.04,m,
H,75,2.04,m,
H,76,1.96,m,
H,77,1.96,m,
H,78,3.6,ddd,"12.4,7.9,0.5"
H,79,3.6,ddd,"12.5,12.4,8.2"
H,80,5.25,dt,"7.0,6.3"
H,81,3.58,d,6.3
H,82,3.58,d,6.3
H,83,7.28,s,
H,84,7.28,s,
H,85,8.13,d,7.0
H,86,4.24,dd,"7.0,5.5"
H,87,2.16,m,"6.4,5.5"
H,88,0.86,d,6.4
H,89,0.86,d,6.4
H,90,0.86,d,6.4
H,91,0.86,d,6.4
H,92,0.86,d,6.4
H,93,0.86,d,6.4
H,94,8.05,d,7.0
H,95,4.73,dd,"12.9,7.6"
H,96,2.04,m,
H,97,2.04,m,
H,98,1.96,m,
H,99,1.96,m,
H,100,3.79,ddd,"12.4,10.0,2.2"
H,101,3.79,ddd,"12.4,10.5,9.8"
H,102,4.42,dd,"7.0,5.5"
H,103,2.28,m,"6.4,5.5"
H,104,1.01,d,6.4
H,105,1.01,d,6.4
H,106,1.01,d,6.4
H,107,1.01,d,6.4
H,108,1.01,d,6.4
H,109,1.01,d,6.4
H,110,7.77,d,7.0
