C,1,11.9,s,
C,2,28.2,s,
C,3,41.6,s,
C,4,31.1,s,
C,5,36.36,s,
C,6,34.7,s,
C,7,33.7,s,
C,8,141.9,s,
N,9,,,
C,10,142.9,s,
C,11,116.56,s,
C,12,142.13,s,
C,13,36.8,s,
C,14,32.61,s,
C,15,42.9,s,
C,16,42.3,s,
C,17,24.3,s,
C,18,11.6,s,
C,19,53.83,s,
N,20,,,
C,21,40.25,s,
C,22,62.1,s,
C,23,35.29,s,
C,24,110.5,s,
C,25,137.8,s,
N,26,,,
C,27,136.0,s,
C,28,109.5,s,
C,29,121.21,s,
C,30,118.7,s,
C,31,117.4,s,
C,32,130.0,s,
C,33,48.7,s,
C,34,172.96,s,
O,35,,,
O,36,,,
C,37,52.08,s,
C,38,127.92,s,
C,39,119.3,s,
C,40,127.08,s,
C,41,109.7,s,
C,42,20.0,s,
C,43,49.3,s,
N,44,,,
C,45,54.5,s,
C,46,57.0,s,
H,47,0.88,t,7.0
H,48,0.88,t,7.0
H,49,0.88,t,7.0
H,50,1.44,qd,"7.0,6.0"
H,51,1.44,qd,"7.0,6.0"
H,52,2.37,m,
H,53,1.66,ddd,"12.4,8.8,4.8"
H,54,1.66,ddd,"12.4,8.0,1.6"
H,55,1.65,m,
H,56,1.66,ddd,"12.4,10.5,1.4"
H,57,1.66,ddd,"12.4,4.4,2.3"
H,58,2.83,ddd,"10.5,3.7,2.3"
H,59,,,
H,60,7.48,dd,"1.9,0.5"
H,61,2.83,dd,"9.9,9.3"
H,62,1.66,ddd,"12.4,11.6,9.3"
H,63,1.66,ddd,"12.4,9.9,1.7"
H,64,2.12,m,
H,65,3.15,m,
H,66,1.44,qd,"7.0,6.0"
H,67,1.44,qd,"7.0,6.0"
H,68,0.88,t,7.0
H,69,0.88,t,7.0
H,70,0.88,t,7.0
H,71,3.31,dd,"12.4,9.0"
H,72,3.31,dd,"12.4,2.1"
H,73,2.26,s,
H,74,2.26,s,
H,75,2.26,s,
H,76,4.0,ddd,"12.0,2.3,0.9"
H,77,3.21,dd,"15.4,12.0"
H,78,3.21,dd,"15.4,2.3"
H,79,,,
H,80,7.2,ddd,"6.8,1.4,0.5"
H,81,7.18,ddd,"7.5,6.8,1.4"
H,82,7.13,ddd,"9.0,7.5,1.4"
H,83,7.53,ddd,"9.0,1.4,0.5"
H,84,3.55,dd,"0.9,0.7"
H,85,3.7,s,
H,86,3.7,s,
H,87,3.7,s,
H,88,7.56,dd,"9.0,1.9"
H,89,7.24,dd,"9.0,0.5"
H,90,3.15,ddd,"13.4,12.3,7.5"
H,91,3.15,ddd,"13.4,5.5,2.1"
H,92,3.34,ddd,"12.4,7.5,2.1"
H,93,3.34,ddd,"12.4,12.3,5.5"
H,94,3.31,dd,"12.4,1.1"
H,95,3.31,dd,"12.4,5.5"
H,96,3.85,dd,"3.7,1.6"
