C,1,113.21,s,
C,2,145.33,s,
C,3,39.69,s,
C,4,28.15,s,
C,5,28.15,s,
C,6,140.19,s,
N,7,,,
C,8,142.9,s,
C,9,111.0,s,
C,10,137.5,s,
C,11,34.6,s,
C,12,124.0,s,
C,13,132.8,s,
C,14,21.95,s,
C,15,21.95,s,
C,16,121.0,s,
C,17,124.91,s,
C,18,126.19,s,
C,19,102.9,s,
C,20,112.3,s,
C,21,124.1,s,
N,22,,,
C,23,174.39,s,
O,24,,,
C,25,65.5,s,
C,26,42.19,s,
C,27,45.85,s,
C,28,136.39,s,
C,29,133.81,s,
C,30,119.58,s,
C,31,158.73,s,
O,32,,,
C,33,113.74,s,
C,34,118.2,s,
C,35,22.0,s,
C,36,123.5,s,
C,37,131.3,s,
C,38,21.87,s,
C,39,21.87,s,
C,40,159.52,s,
O,41,,,
C,42,118.77,s,
C,43,192.68,s,
O,44,,,
C,45,136.39,s,
C,46,136.39,s,
C,47,40.4,s,
C,48,18.87,s,
N,49,,,
C,50,159.19,s,
O,51,,,
H,52,5.2,dd,"12.0,2.5"
H,53,5.2,dd,"16.0,2.5"
H,54,6.01,dd,"16.0,12.0"
H,55,1.55,s,
H,56,1.55,s,
H,57,1.55,s,
H,58,1.55,s,
H,59,1.55,s,
H,60,1.55,s,
H,61,,,
H,62,7.48,dd,"1.9,0.5"
H,63,2.98,d,7.0
H,64,2.98,d,7.0
H,65,5.09,t,7.0
H,66,1.67,s,
H,67,1.67,s,
H,68,1.67,s,
H,69,1.67,s,
H,70,1.67,s,
H,71,1.67,s,
H,72,7.56,dd,"7.6,1.9"
H,73,8.09,dd,"7.6,0.5"
H,74,7.07,s,
H,75,9.82,s,
H,76,2.02,dd,"12.4,4.0"
H,77,2.02,dd,"12.4,11.3"
H,78,3.53,m,
H,79,6.16,dd,"11.0,7.0"
H,80,7.31,d,11.0
H,81,,,
H,82,6.54,s,
H,83,3.15,d,7.0
H,84,3.15,d,7.0
H,85,5.09,t,7.0
H,86,1.67,s,
H,87,1.67,s,
H,88,1.67,s,
H,89,1.67,s,
H,90,1.67,s,
H,91,1.67,s,
H,92,,,
H,93,10.31,s,
H,94,6.16,dd,"10.4,5.2"
H,95,6.16,dd,"10.4,5.7"
H,96,2.73,qd,"6.9,5.7"
H,97,1.89,d,6.9
H,98,1.89,d,6.9
H,99,1.89,d,6.9
H,100,7.59,s,
