C,1,22.42,s,
C,2,24.66,s,
C,3,22.42,s,
C,4,36.24,s,
C,5,57.53,s,
N,6,,,
C,7,162.36,s,
O,8,,,
C,9,57.53,s,
N,10,,,
C,11,167.6,s,
O,12,,,
C,13,74.58,s,
C,14,18.14,s,
C,15,57.53,s,
C,16,39.16,s,
S,17,,,
S,18,,,
C,19,39.16,s,
C,20,57.53,s,
N,21,,,
C,22,162.36,s,
O,23,,,
C,24,143.45,s,
C,25,114.97,s,
S,26,,,
C,27,168.37,s,
N,28,,,
C,29,167.6,s,
N,30,,,
C,31,57.53,s,
C,32,162.36,s,
O,33,,,
N,34,,,
C,35,57.53,s,
C,36,36.24,s,
C,37,24.66,s,
C,38,22.42,s,
C,39,22.42,s,
C,40,168.37,s,
N,41,,,
C,42,143.45,s,
C,43,114.97,s,
S,44,,,
C,45,162.36,s,
O,46,,,
N,47,,,
C,48,74.58,s,
C,49,18.14,s,
O,50,,,
H,51,0.8,d,6.4
H,52,0.8,d,6.4
H,53,0.8,d,6.4
H,54,1.67,m,"6.4,5.9"
H,55,0.8,d,6.4
H,56,0.8,d,6.4
H,57,0.8,d,6.4
H,58,1.87,dd,"6.1,5.9"
H,59,1.87,dd,"6.1,5.9"
H,60,4.28,t,6.1
H,61,,,
H,62,4.6,d,7.5
H,63,4.92,dq,"7.5,6.1"
H,64,1.3,d,6.1
H,65,1.3,d,6.1
H,66,1.3,d,6.1
H,67,4.28,dd,"5.9,2.4"
H,68,3.27,dd,"12.4,2.4"
H,69,3.27,dd,"12.4,5.9"
H,70,3.27,dd,"12.4,9.3"
H,71,3.27,dd,"12.4,1.1"
H,72,4.28,dd,"9.3,1.1"
H,73,,,
H,74,6.94,s,
H,75,4.6,d,9.1
H,76,,,
H,77,4.28,t,6.1
H,78,1.87,dd,"6.1,5.9"
H,79,1.87,dd,"6.1,5.9"
H,80,1.67,m,"6.4,5.9"
H,81,0.8,d,6.4
H,82,0.8,d,6.4
H,83,0.8,d,6.4
H,84,0.8,d,6.4
H,85,0.8,d,6.4
H,86,0.8,d,6.4
H,87,6.94,s,
H,88,,,
H,89,4.92,dq,"9.1,6.1"
H,90,1.3,d,6.1
H,91,1.3,d,6.1
H,92,1.3,d,6.1
