C,1,12.07,s,
C,2,29.36,s,
C,3,38.36,s,
C,4,19.53,s,
C,5,139.51,s,
C,6,126.66,s,
C,7,128.82,s,
C,8,131.87,s,
C,9,34.37,s,
C,10,53.22,s,
N,11,,,
C,12,171.19,s,
O,13,,,
C,14,56.6,s,
C,15,36.65,s,
C,16,69.32,s,
O,17,,,
C,18,43.2,s,
N,19,,,
N,20,,,
C,21,169.7,s,
O,22,,,
C,23,68.51,s,
O,24,,,
C,25,171.45,s,
O,26,,,
C,27,61.74,s,
C,28,26.69,s,
C,29,66.67,s,
O,30,,,
N,31,,,
C,32,171.19,s,
O,33,,,
C,34,56.6,s,
C,35,36.65,s,
C,36,69.32,s,
O,37,,,
C,38,43.2,s,
N,39,,,
N,40,,,
C,41,167.36,s,
O,42,,,
C,43,56.6,s,
C,44,41.68,s,
C,45,55.08,s,
Cl,46,,,
C,47,49.05,s,
N,48,,,
N,49,,,
C,50,167.36,s,
O,51,,,
H,52,0.88,t,7.0
H,53,0.88,t,7.0
H,54,0.88,t,7.0
H,55,1.44,qd,"7.0,6.2"
H,56,1.44,qd,"7.0,6.2"
H,57,2.47,dqt,"7.0,6.7,6.2"
H,58,0.98,d,6.7
H,59,0.98,d,6.7
H,60,0.98,d,6.7
H,61,6.16,dd,"16.0,7.0"
H,62,6.18,dd,"16.0,11.0"
H,63,6.22,dd,"16.0,11.0"
H,64,5.83,dt,"16.0,7.0"
H,65,2.46,dd,"7.0,6.4"
H,66,2.46,dd,"7.0,6.4"
H,67,4.42,dt,"7.0,6.4"
H,68,8.13,d,7.0
H,69,5.7,dd,"12.5,3.6"
H,70,2.45,ddd,"12.4,4.6,3.6"
H,71,2.45,ddd,"12.5,12.4,1.9"
H,72,4.11,m,
H,73,,,
H,74,3.58,dd,"12.4,3.8"
H,75,3.58,dd,"12.4,0.8"
H,76,,,
H,77,4.23,s,
H,78,4.23,s,
H,79,1.41,s,
H,80,1.41,s,
H,81,1.41,s,
H,82,3.7,s,
H,83,3.7,s,
H,84,,,
H,85,7.59,s,
H,86,5.7,dd,"10.0,9.3"
H,87,2.45,ddd,"12.4,10.0,9.9"
H,88,2.45,ddd,"12.4,9.3,5.8"
H,89,4.11,m,
H,90,,,
H,91,3.58,dd,"12.4,9.4"
H,92,3.58,dd,"12.4,4.3"
H,93,,,
H,94,5.7,dd,"8.2,1.5"
H,95,2.05,ddd,"12.4,1.5,1.3"
H,96,2.05,dt,"12.4,8.2"
H,97,4.51,m,
H,98,3.58,dd,"12.4,1.1"
H,99,3.58,dd,"12.4,5.3"
H,100,,,
