C,1,13.67,s,
C,2,47.73,s,
N,3,,,
C,4,53.21,s,
C,5,23.85,s,
C,6,28.16,s,
C,7,41.32,s,
C,8,38.82,s,
C,9,36.24,s,
C,10,56.4,s,
C,11,29.71,s,
C,12,35.22,s,
C,13,77.48,s,
O,14,,,
C,15,165.7,s,
O,16,,,
C,17,128.1,s,
C,18,131.04,s,
C,19,131.63,s,
C,20,128.0,s,
Br,21,,,
C,22,131.63,s,
C,23,131.04,s,
C,24,40.4,s,
C,25,29.8,s,
C,26,41.32,s,
C,27,38.82,s,
C,28,36.24,s,
C,29,72.55,s,
N,30,,,
O,31,,,
C,32,161.79,s,
O,33,,,
C,34,131.68,s,
C,35,131.83,s,
C,36,131.64,s,
C,37,127.62,s,
Br,38,,,
C,39,131.64,s,
C,40,131.83,s,
C,41,34.31,s,
C,42,30.4,s,
C,43,21.01,s,
C,44,36.24,s,
C,45,62.1,s,
N,46,,,
C,47,42.3,s,
C,48,53.83,s,
C,49,32.65,s,
C,50,30.4,s,
C,51,21.01,s,
C,52,36.24,s,
C,53,62.1,s,
H,54,1.06,t,6.8
H,55,1.06,t,6.8
H,56,1.06,t,6.8
H,57,2.67,q,6.8
H,58,2.67,q,6.8
H,59,2.66,ddd,"12.4,9.5,8.4"
H,60,2.66,ddd,"12.4,9.6,1.5"
H,61,1.56,m,
H,62,1.56,m,
H,63,1.58,m,
H,64,1.58,m,
H,65,2.26,m,
H,66,2.1,m,
H,67,1.87,dd,"6.1,5.8"
H,68,1.87,dd,"6.1,5.8"
H,69,4.28,ddt,"8.9,8.2,5.8"
H,70,1.84,m,
H,71,1.84,m,
H,72,1.9,ddd,"12.4,5.3,3.4"
H,73,1.9,ddd,"12.4,12.0,7.7"
H,74,7.92,ddd,"8.6,1.9,0.5"
H,75,7.59,ddd,"8.6,1.4,0.5"
H,76,7.59,ddd,"7.5,1.4,0.5"
H,77,7.92,ddd,"7.5,1.9,0.5"
H,78,1.46,m,
H,79,1.79,ddd,"12.4,7.3,5.1"
H,80,1.79,dd,"12.4,1.3"
H,81,2.26,ddd,"5.5,5.1,3.6"
H,82,2.1,m,
H,83,1.87,ddd,"12.4,10.2,1.4"
H,84,1.87,ddd,"12.4,10.4,4.0"
H,85,4.28,dd,"10.4,1.4"
H,86,7.92,ddd,"6.6,1.9,0.5"
H,87,7.6,ddd,"6.6,1.4,0.5"
H,88,7.6,ddd,"7.8,1.4,0.5"
H,89,7.92,ddd,"7.8,1.9,0.5"
H,90,1.89,ddd,"12.4,11.8,4.9"
H,91,1.89,ddd,"12.4,5.9,2.2"
H,92,1.49,m,
H,93,0.89,d,6.4
H,94,0.89,d,6.4
H,95,0.89,d,6.4
H,96,1.87,ddd,"12.4,7.7,2.1"
H,97,1.87,ddd,"12.4,9.1,6.8"
H,98,3.6,ddd,"9.1,7.7,5.5"
H,99,2.35,s,
H,100,2.35,s,
H,101,2.35,s,
H,102,3.31,dd,"12.4,9.5"
H,103,3.31,dd,"12.4,8.1"
H,104,1.66,ddd,"12.4,8.7,5.2"
H,105,1.66,ddd,"12.4,4.5,0.2"
H,106,1.49,m,
H,107,0.89,d,6.4
H,108,0.89,d,6.4
H,109,0.89,d,6.4
H,110,1.87,ddd,"12.4,10.4,3.4"
H,111,1.87,ddd,"12.4,12.0,6.1"
H,112,3.6,ddd,"12.0,9.8,3.4"
