C,1,11.31,s,
C,2,24.89,s,
C,3,35.3,s,
C,4,16.11,s,
C,5,51.1,s,
N,6,,,
C,7,159.0,s,
O,8,,,
C,9,147.3,s,
C,10,124.9,s,
S,11,,,
C,12,167.9,s,
N,13,,,
C,14,53.9,s,
C,15,34.3,s,
C,16,17.8,s,
C,17,17.8,s,
N,18,,,
C,19,171.19,s,
O,20,,,
C,21,57.53,s,
C,22,69.15,s,
O,23,,,
C,24,167.6,s,
N,25,,,
C,26,51.1,s,
C,27,35.3,s,
C,28,16.11,s,
C,29,24.89,s,
C,30,11.31,s,
N,31,,,
C,32,159.0,s,
O,33,,,
C,34,147.3,s,
C,35,124.9,s,
S,36,,,
C,37,167.9,s,
N,38,,,
C,39,53.9,s,
C,40,34.3,s,
C,41,17.8,s,
C,42,17.8,s,
N,43,,,
C,44,169.0,s,
O,45,,,
C,46,72.7,s,
N,47,,,
C,48,167.6,s,
O,49,,,
C,50,81.9,s,
C,51,21.4,s,
H,52,0.85,t,7.0
H,53,0.85,t,7.0
H,54,0.85,t,7.0
H,55,1.33,qd,"7.0,6.0"
H,56,1.33,qd,"7.0,6.0"
H,57,2.02,qtd,"6.5,6.0,5.6"
H,58,0.8,d,6.5
H,59,0.8,d,6.5
H,60,0.8,d,6.5
H,61,4.84,dd,"7.0,5.6"
H,62,7.4,d,7.0
H,63,8.27,s,
H,64,4.28,dd,"7.0,5.5"
H,65,2.09,m,"6.4,5.5"
H,66,0.88,d,6.4
H,67,0.88,d,6.4
H,68,0.88,d,6.4
H,69,0.88,d,6.4
H,70,0.88,d,6.4
H,71,0.88,d,6.4
H,72,7.4,d,7.0
H,73,4.28,dd,"10.7,8.9"
H,74,3.82,dd,"10.7,6.4"
H,75,3.82,dd,"8.9,6.4"
H,76,4.84,dd,"7.0,5.6"
H,77,2.02,qtd,"6.5,6.0,5.6"
H,78,0.8,d,6.5
H,79,0.8,d,6.5
H,80,0.8,d,6.5
H,81,1.33,qd,"7.0,6.0"
H,82,1.33,qd,"7.0,6.0"
H,83,0.85,t,7.0
H,84,0.85,t,7.0
H,85,0.85,t,7.0
H,86,7.4,d,7.0
H,87,8.27,s,
H,88,4.28,dd,"7.0,5.5"
H,89,2.09,m,"6.4,5.5"
H,90,0.88,d,6.4
H,91,0.88,d,6.4
H,92,0.88,d,6.4
H,93,0.88,d,6.4
H,94,0.88,d,6.4
H,95,0.88,d,6.4
H,96,7.4,d,7.0
H,97,5.91,d,8.5
H,98,4.92,dq,"8.5,6.1"
H,99,1.3,d,6.1
H,100,1.3,d,6.1
H,101,1.3,d,6.1
