C,1,11.9,s,
C,2,28.3,s,
C,3,39.67,s,
C,4,31.7,s,
C,5,26.7,s,
C,6,51.1,s,
N,7,,,
C,8,52.0,s,
C,9,21.17,s,
C,10,109.56,s,
C,11,134.91,s,
N,12,,,
C,13,137.87,s,
C,14,130.1,s,
C,15,130.1,s,
C,16,156.64,s,
O,17,,,
C,18,55.91,s,
C,19,109.8,s,
C,20,120.3,s,
C,21,129.0,s,
C,22,109.56,s,
C,23,134.91,s,
N,24,,,
C,25,137.87,s,
C,26,44.87,s,
C,27,175.47,s,
O,28,,,
O,29,,,
C,30,53.03,s,
C,31,36.7,s,
C,32,26.7,s,
C,33,31.7,s,
C,34,39.67,s,
C,35,28.3,s,
C,36,11.9,s,
C,37,61.05,s,
N,38,,,
C,39,52.0,s,
C,40,21.17,s,
C,41,51.1,s,
C,42,158.73,s,
O,43,,,
C,44,109.6,s,
C,45,120.3,s,
C,46,129.0,s,
C,47,44.87,s,
C,48,175.47,s,
O,49,,,
O,50,,,
C,51,53.03,s,
C,52,36.7,s,
C,53,61.05,s,
H,54,0.88,t,7.0
H,55,0.88,t,7.0
H,56,0.88,t,7.0
H,57,1.44,qd,"7.0,6.0"
H,58,1.44,qd,"7.0,6.0"
H,59,2.37,m,
H,60,1.66,ddd,"12.4,4.0,2.2"
H,61,1.66,ddd,"12.4,10.2,1.6"
H,62,1.65,m,
H,63,3.31,dd,"12.4,2.7"
H,64,3.31,dd,"12.4,3.3"
H,65,3.34,ddd,"12.4,3.9,3.6"
H,66,3.34,ddd,"12.7,12.4,3.8"
H,67,3.15,ddd,"13.4,12.7,3.6"
H,68,3.15,ddd,"13.4,3.9,3.8"
H,69,,,
H,70,3.84,s,
H,71,3.84,s,
H,72,3.84,s,
H,73,6.91,d,6.2
H,74,7.55,d,6.2
H,75,,,
H,76,3.54,s,
H,77,3.54,s,
H,78,3.54,s,
H,79,2.04,dd,"12.4,2.5"
H,80,2.04,dd,"12.4,3.9"
H,81,1.65,m,
H,82,1.66,ddd,"12.4,10.1,2.8"
H,83,1.66,ddd,"12.4,3.7,2.9"
H,84,2.37,m,
H,85,1.44,qd,"7.0,6.0"
H,86,1.44,qd,"7.0,6.0"
H,87,0.88,t,7.0
H,88,0.88,t,7.0
H,89,0.88,t,7.0
H,90,3.54,d,2.4
H,91,3.34,ddd,"12.4,4.1,3.4"
H,92,3.34,ddd,"12.9,12.4,4.7"
H,93,3.15,ddd,"13.4,12.9,3.4"
H,94,3.15,ddd,"13.4,4.7,4.1"
H,95,3.31,dd,"12.4,2.5"
H,96,3.31,dd,"12.4,2.4"
H,97,,,
H,98,7.01,d,7.2
H,99,7.55,d,7.2
H,100,3.54,s,
H,101,3.54,s,
H,102,3.54,s,
H,103,2.04,dd,"12.4,4.0"
H,104,2.04,dd,"12.4,2.3"
H,105,3.54,d,4.2
