C,1,18.38,s,
C,2,30.56,s,
C,3,18.38,s,
C,4,57.53,s,
N,5,,,
C,6,162.36,s,
O,7,,,
C,8,57.53,s,
C,9,41.07,s,
C,10,73.75,s,
C,11,23.5,s,
O,12,,,
C,13,69.6,s,
O,14,,,
N,15,,,
C,16,162.36,s,
O,17,,,
C,18,57.53,s,
C,19,32.8,s,
C,20,130.1,s,
C,21,153.15,s,
N,22,,,
C,23,136.15,s,
C,24,112.4,s,
C,25,125.75,s,
C,26,120.32,s,
C,27,119.55,s,
C,28,127.21,s,
S,29,,,
C,30,34.51,s,
C,31,57.53,s,
N,32,,,
C,33,162.36,s,
O,34,,,
C,35,57.53,s,
C,36,71.85,s,
O,37,,,
C,38,177.15,s,
O,39,,,
O,40,,,
N,41,,,
C,42,162.36,s,
O,43,,,
C,44,169.5,s,
O,45,,,
N,46,,,
C,47,54.53,s,
C,48,69.51,s,
O,49,,,
C,50,36.65,s,
C,51,57.53,s,
C,52,162.36,s,
O,53,,,
N,54,,,
C,55,57.53,s,
C,56,19.8,s,
C,57,162.36,s,
O,58,,,
N,59,,,
H,60,0.82,d,6.4
H,61,0.82,d,6.4
H,62,0.82,d,6.4
H,63,2.19,m,"6.4,5.4"
H,64,0.82,d,6.4
H,65,0.82,d,6.4
H,66,0.82,d,6.4
H,67,4.03,d,5.4
H,68,,,
H,69,4.28,t,6.2
H,70,2.49,d,6.2
H,71,2.49,d,6.2
H,72,1.4,s,
H,73,1.4,s,
H,74,1.4,s,
H,75,,,
H,76,3.92,s,
H,77,3.92,s,
H,78,,,
H,79,,,
H,80,4.28,dd,"10.3,7.8"
H,81,3.5,dd,"15.4,10.3"
H,82,3.5,dd,"15.4,7.8"
H,83,,,
H,84,7.36,ddd,"6.4,1.4,0.5"
H,85,7.22,ddd,"8.4,6.4,1.4"
H,86,7.15,ddd,"8.4,6.4,1.4"
H,87,8.02,ddd,"6.4,1.4,0.5"
H,88,3.23,dd,"12.4,0.9"
H,89,3.23,dd,"12.4,7.9"
H,90,4.28,dd,"7.9,0.9"
H,91,,,
H,92,4.6,d,5.4
H,93,4.58,d,5.4
H,94,,,
H,95,,,
H,96,,,
H,97,3.69,dd,"12.4,6.9"
H,98,3.69,dd,"12.4,9.4"
H,99,4.11,m,
H,100,,,
H,101,2.45,ddd,"12.4,11.5,9.6"
H,102,2.45,ddd,"12.4,3.1,2.2"
H,103,4.28,dd,"11.5,3.1"
H,104,,,
H,105,4.28,q,6.5
H,106,1.29,d,6.5
H,107,1.29,d,6.5
H,108,1.29,d,6.5
H,109,,,
