C,1,22.42,s,
C,2,24.66,s,
C,3,22.42,s,
C,4,36.24,s,
C,5,57.53,s,
N,6,,,
C,7,162.36,s,
O,8,,,
C,9,57.53,s,
C,10,36.24,s,
C,11,24.66,s,
C,12,22.42,s,
C,13,22.42,s,
N,14,,,
C,15,162.36,s,
O,16,,,
C,17,49.05,s,
N,18,,,
C,19,162.36,s,
O,20,,,
C,21,57.53,s,
C,22,32.8,s,
C,23,110.16,s,
C,24,123.99,s,
N,25,,,
C,26,136.38,s,
C,27,111.5,s,
C,28,121.51,s,
C,29,119.23,s,
C,30,118.5,s,
C,31,127.47,s,
N,32,,,
C,33,162.36,s,
O,34,,,
C,35,57.53,s,
C,36,29.71,s,
C,37,23.68,s,
C,38,47.03,s,
N,39,,,
C,40,169.5,s,
O,41,,,
C,42,72.7,s,
C,43,67.4,s,
C,44,19.74,s,
O,45,,,
N,46,,,
C,47,162.36,s,
O,48,,,
C,49,57.53,s,
C,50,36.24,s,
C,51,24.66,s,
C,52,22.42,s,
C,53,22.42,s,
N,54,,,
C,55,162.36,s,
O,56,,,
H,57,0.8,d,6.4
H,58,0.8,d,6.4
H,59,0.8,d,6.4
H,60,1.67,m,"6.4,5.9"
H,61,0.8,d,6.4
H,62,0.8,d,6.4
H,63,0.8,d,6.4
H,64,1.87,dd,"6.2,5.9"
H,65,1.87,dd,"6.2,5.9"
H,66,4.28,t,6.2
H,67,,,
H,68,4.28,t,6.2
H,69,1.87,dd,"6.2,5.9"
H,70,1.87,dd,"6.2,5.9"
H,71,1.67,m,"6.4,5.9"
H,72,0.8,d,6.4
H,73,0.8,d,6.4
H,74,0.8,d,6.4
H,75,0.8,d,6.4
H,76,0.8,d,6.4
H,77,0.8,d,6.4
H,78,,,
H,79,4.05,s,
H,80,4.05,s,
H,81,,,
H,82,4.28,t,6.3
H,83,3.5,d,6.3
H,84,3.5,d,6.3
H,85,7.11,d,0.5
H,86,,,
H,87,7.34,ddd,"6.3,1.4,0.5"
H,88,7.14,ddd,"8.2,6.3,1.4"
H,89,7.01,ddd,"8.2,6.9,1.4"
H,90,7.57,ddt,"6.9,1.4,0.5"
H,91,,,
H,92,4.28,dd,"11.4,3.9"
H,93,1.84,m,
H,94,1.84,dtd,"12.4,11.4,3.2"
H,95,1.9,m,
H,96,1.9,m,
H,97,3.7,ddd,"12.4,10.1,9.8"
H,98,3.7,ddd,"12.4,9.0,1.3"
H,99,5.91,d,5.0
H,100,4.15,qd,"6.1,5.0"
H,101,1.15,d,6.1
H,102,1.15,d,6.1
H,103,1.15,d,6.1
H,104,,,
H,105,,,
H,106,4.28,t,6.2
H,107,1.87,dd,"6.2,5.9"
H,108,1.87,dd,"6.2,5.9"
H,109,1.67,m,"6.4,5.9"
H,110,0.8,d,6.4
H,111,0.8,d,6.4
H,112,0.8,d,6.4
H,113,0.8,d,6.4
H,114,0.8,d,6.4
H,115,0.8,d,6.4
H,116,,,
