C,1,11.84,s,
C,2,24.69,s,
C,3,36.48,s,
C,4,15.49,s,
C,5,57.92,s,
N,6,,,
C,7,169.0,s,
O,8,,,
C,9,72.7,s,
N,10,,,
C,11,161.53,s,
O,12,,,
C,13,81.9,s,
C,14,21.4,s,
C,15,143.45,s,
C,16,114.97,s,
S,17,,,
C,18,167.7,s,
N,19,,,
C,20,53.9,s,
C,21,34.3,s,
C,22,17.8,s,
C,23,17.8,s,
N,24,,,
C,25,171.86,s,
O,26,,,
C,27,57.92,s,
C,28,36.48,s,
C,29,15.49,s,
C,30,24.69,s,
C,31,11.84,s,
N,32,,,
C,33,171.19,s,
O,34,,,
C,35,57.53,s,
C,36,69.15,s,
O,37,,,
C,38,161.53,s,
N,39,,,
C,40,143.45,s,
C,41,114.97,s,
S,42,,,
C,43,167.7,s,
N,44,,,
C,45,53.9,s,
C,46,34.3,s,
C,47,17.8,s,
C,48,17.8,s,
N,49,,,
C,50,171.86,s,
O,51,,,
H,52,0.84,t,7.0
H,53,0.84,t,7.0
H,54,0.84,t,7.0
H,55,1.54,qd,"7.0,6.0"
H,56,1.54,qd,"7.0,6.0"
H,57,2.06,qtd,"6.5,6.0,5.5"
H,58,0.93,d,6.5
H,59,0.93,d,6.5
H,60,0.93,d,6.5
H,61,4.33,dd,"7.0,5.5"
H,62,8.05,d,7.0
H,63,5.91,d,9.5
H,64,4.92,dq,"9.5,6.1"
H,65,1.3,d,6.1
H,66,1.3,d,6.1
H,67,1.3,d,6.1
H,68,6.94,s,
H,69,4.28,dd,"7.0,5.5"
H,70,2.09,m,"6.4,5.5"
H,71,0.88,d,6.4
H,72,0.88,d,6.4
H,73,0.88,d,6.4
H,74,0.88,d,6.4
H,75,0.88,d,6.4
H,76,0.88,d,6.4
H,77,7.4,d,7.0
H,78,4.33,dd,"7.0,5.5"
H,79,2.06,qtd,"6.5,6.0,5.5"
H,80,0.93,d,6.5
H,81,0.93,d,6.5
H,82,0.93,d,6.5
H,83,1.54,qd,"7.0,6.0"
H,84,1.54,qd,"7.0,6.0"
H,85,0.84,t,7.0
H,86,0.84,t,7.0
H,87,0.84,t,7.0
H,88,8.05,d,7.0
H,89,4.28,dd,"11.4,5.9"
H,90,3.82,dd,"6.4,5.9"
H,91,3.82,dd,"11.4,6.4"
H,92,6.94,s,
H,93,4.28,dd,"7.0,5.5"
H,94,2.09,m,"6.4,5.5"
H,95,0.88,d,6.4
H,96,0.88,d,6.4
H,97,0.88,d,6.4
H,98,0.88,d,6.4
H,99,0.88,d,6.4
H,100,0.88,d,6.4
H,101,7.4,d,7.0
