C,1,57.75,s,
O,2,,,
C,3,157.83,s,
C,4,101.23,s,
C,5,57.53,s,
C,6,169.5,s,
O,7,,,
N,8,,,
C,9,27.2,s,
C,10,53.83,s,
C,11,18.06,s,
C,12,167.36,s,
O,13,,,
N,14,,,
N,15,,,
C,16,47.3,s,
C,17,25.5,s,
C,18,29.71,s,
C,19,56.6,s,
C,20,169.5,s,
O,21,,,
N,22,,,
C,23,57.53,s,
C,24,41.07,s,
C,25,87.0,s,
O,26,,,
C,27,131.4,s,
C,28,127.92,s,
C,29,128.34,s,
C,30,137.26,s,
Cl,31,,,
C,32,115.17,s,
C,33,142.9,s,
N,34,,,
C,35,85.8,s,
C,36,162.36,s,
O,37,,,
N,38,,,
C,39,57.53,s,
C,40,30.56,s,
C,41,18.38,s,
C,42,18.38,s,
C,43,167.36,s,
O,44,,,
N,45,,,
N,46,,,
C,47,47.3,s,
C,48,25.5,s,
C,49,29.71,s,
C,50,56.6,s,
C,51,167.36,s,
O,52,,,
N,53,,,
N,54,,,
C,55,129.2,s,
H,56,3.37,s,
H,57,3.37,s,
H,58,3.37,s,
H,59,5.51,d,4.6
H,60,6.7,d,4.6
H,61,2.91,s,
H,62,2.91,s,
H,63,2.91,s,
H,64,3.73,q,6.8
H,65,1.4,d,6.8
H,66,1.4,d,6.8
H,67,1.4,d,6.8
H,68,,,
H,69,3.52,ddd,"12.4,9.6,0.7"
H,70,3.52,ddd,"12.4,9.2,7.3"
H,71,1.71,m,
H,72,1.71,m,
H,73,1.84,m,
H,74,1.84,m,
H,75,5.7,dd,"5.2,3.7"
H,76,4.28,dd,"8.3,0.8"
H,77,2.49,dd,"12.4,0.8"
H,78,2.49,dd,"12.4,8.3"
H,79,,,
H,80,7.56,dd,"7.3,0.5"
H,81,7.41,dd,"7.3,1.4"
H,82,6.82,dd,"1.4,0.5"
H,83,,,
H,84,5.84,s,
H,85,,,
H,86,5.02,d,5.3
H,87,2.09,m,"6.4,5.3"
H,88,0.88,d,6.4
H,89,0.88,d,6.4
H,90,0.88,d,6.4
H,91,0.88,d,6.4
H,92,0.88,d,6.4
H,93,0.88,d,6.4
H,94,,,
H,95,3.52,ddd,"12.4,9.8,7.2"
H,96,3.52,ddd,"12.4,10.3,1.4"
H,97,1.71,m,
H,98,1.71,m,
H,99,1.84,m,
H,100,1.84,m,
H,101,5.7,dd,"10.9,2.4"
H,102,7.72,s,
