C,1,13.91,s,
C,2,18.98,s,
C,3,29.71,s,
C,4,55.8,s,
N,5,,,
C,6,162.36,s,
O,7,,,
C,8,143.45,s,
C,9,114.97,s,
S,10,,,
C,11,168.37,s,
N,12,,,
C,13,57.53,s,
C,14,19.8,s,
N,15,,,
C,16,162.36,s,
O,17,,,
C,18,57.53,s,
C,19,30.56,s,
C,20,18.38,s,
C,21,18.38,s,
N,22,,,
C,23,31.45,s,
C,24,171.67,s,
O,25,,,
C,26,56.3,s,
C,27,35.1,s,
C,28,127.7,s,
C,29,130.6,s,
C,30,115.5,s,
C,31,156.27,s,
O,32,,,
C,33,115.5,s,
C,34,130.6,s,
N,35,,,
C,36,31.45,s,
C,37,173.2,s,
O,38,,,
C,39,70.19,s,
C,40,15.77,s,
O,41,,,
C,42,173.6,s,
O,43,,,
C,44,45.36,s,
C,45,12.67,s,
H,46,0.9,t,7.0
H,47,0.9,t,7.0
H,48,0.9,t,7.0
H,49,1.31,qt,"7.0,6.6"
H,50,1.31,qt,"7.0,6.6"
H,51,1.84,td,"6.6,5.9"
H,52,1.84,td,"6.6,5.9"
H,53,3.49,td,"5.9,1.4"
H,54,,,
H,55,6.94,s,
H,56,4.28,q,6.4
H,57,1.29,d,6.4
H,58,1.29,d,6.4
H,59,1.29,d,6.4
H,60,,,
H,61,4.28,d,5.7
H,62,2.09,m,"6.4,5.7"
H,63,0.88,d,6.4
H,64,0.88,d,6.4
H,65,0.88,d,6.4
H,66,0.88,d,6.4
H,67,0.88,d,6.4
H,68,0.88,d,6.4
H,69,2.91,s,
H,70,2.91,s,
H,71,2.91,s,
H,72,4.49,t,6.5
H,73,3.18,d,6.5
H,74,3.18,d,6.5
H,75,7.11,ddd,"6.4,1.9,0.5"
H,76,6.69,ddd,"6.4,1.9,0.5"
H,77,,,
H,78,6.69,ddd,"7.9,1.9,0.5"
H,79,7.11,ddd,"7.9,1.9,0.5"
H,80,2.91,s,
H,81,2.91,s,
H,82,2.91,s,
H,83,5.12,q,6.3
H,84,1.72,d,6.3
H,85,1.72,d,6.3
H,86,1.72,d,6.3
H,87,2.83,qd,"6.7,1.4"
H,88,1.03,d,6.7
H,89,1.03,d,6.7
H,90,1.03,d,6.7
