C,1,18.65,s,
C,2,30.8,s,
C,3,18.65,s,
C,4,56.3,s,
N,5,,,
C,6,169.5,s,
O,7,,,
C,8,61.57,s,
C,9,35.39,s,
C,10,137.35,s,
C,11,128.9,s,
C,12,128.58,s,
C,13,126.94,s,
C,14,128.58,s,
C,15,128.9,s,
N,16,,,
C,17,33.32,s,
C,18,169.5,s,
O,19,,,
C,20,53.83,s,
C,21,18.06,s,
N,22,,,
C,23,27.2,s,
C,24,172.25,s,
O,25,,,
C,26,53.07,s,
C,27,33.64,s,
C,28,18.49,s,
C,29,18.49,s,
N,30,,,
C,31,169.9,s,
O,32,,,
C,33,54.4,s,
C,34,13.9,s,
N,35,,,
C,36,27.2,s,
C,37,170.8,s,
O,38,,,
C,39,55.6,s,
N,40,,,
C,41,31.45,s,
C,42,172.36,s,
O,43,,,
C,44,37.99,s,
C,45,40.4,s,
C,46,18.87,s,
C,47,75.1,s,
Cl,48,,,
Cl,49,,,
C,50,74.58,s,
C,51,18.14,s,
O,52,,,
C,53,172.7,s,
O,54,,,
H,55,0.94,d,6.4
H,56,0.94,d,6.4
H,57,0.94,d,6.4
H,58,2.06,m,"6.4,5.5"
H,59,0.94,d,6.4
H,60,0.94,d,6.4
H,61,0.94,d,6.4
H,62,4.7,dd,"7.0,5.5"
H,63,7.6,d,7.0
H,64,4.75,t,6.5
H,65,3.09,d,6.5
H,66,3.09,d,6.5
H,67,7.31,m,
H,68,7.24,m,
H,69,7.22,ddt,"7.5,7.4,1.4"
H,70,7.24,m,
H,71,7.31,m,
H,72,2.92,s,
H,73,2.92,s,
H,74,2.92,s,
H,75,3.73,q,6.8
H,76,1.4,d,6.8
H,77,1.4,d,6.8
H,78,1.4,d,6.8
H,79,2.91,s,
H,80,2.91,s,
H,81,2.91,s,
H,82,4.47,dd,"7.0,5.5"
H,83,1.43,m,"6.4,5.5"
H,84,1.01,d,6.4
H,85,1.01,d,6.4
H,86,1.01,d,6.4
H,87,1.01,d,6.4
H,88,1.01,d,6.4
H,89,1.01,d,6.4
H,90,8.05,d,7.0
H,91,3.73,q,6.8
H,92,1.4,d,6.8
H,93,1.4,d,6.8
H,94,1.4,d,6.8
H,95,2.91,s,
H,96,2.91,s,
H,97,2.91,s,
H,98,3.86,d,9.6
H,99,2.91,s,
H,100,2.91,s,
H,101,2.91,s,
H,102,2.7,d,6.0
H,103,2.7,d,6.0
H,104,2.83,qtd,"6.3,6.0,5.0"
H,105,1.03,d,6.3
H,106,1.03,d,6.3
H,107,1.03,d,6.3
H,108,6.61,d,5.0
H,109,4.92,dq,"9.6,6.2"
H,110,1.3,d,6.2
H,111,1.3,d,6.2
H,112,1.3,d,6.2
