C,1,8.66,s,
C,2,29.54,s,
C,3,41.86,s,
C,4,42.11,s,
C,5,36.7,s,
C,6,53.83,s,
N,7,,,
C,8,142.35,s,
C,9,116.11,s,
C,10,131.17,s,
C,11,122.44,s,
C,12,124.58,s,
C,13,134.28,s,
C,14,41.86,s,
C,15,38.94,s,
C,16,51.33,s,
N,17,,,
C,18,55.9,s,
C,19,56.45,s,
O,20,,,
C,21,62.39,s,
C,22,41.86,s,
C,23,29.54,s,
C,24,8.66,s,
C,25,42.11,s,
C,26,36.7,s,
C,27,53.83,s,
N,28,,,
C,29,142.35,s,
C,30,116.11,s,
C,31,131.17,s,
C,32,122.44,s,
C,33,124.58,s,
C,34,134.28,s,
C,35,41.86,s,
C,36,38.94,s,
C,37,51.33,s,
N,38,,,
C,39,55.9,s,
C,40,56.45,s,
O,41,,,
C,42,62.39,s,
C,43,71.28,s,
C,44,92.26,s,
O,45,,,
C,46,92.26,s,
C,47,71.28,s,
H,48,0.68,t,7.1
H,49,0.68,t,7.1
H,50,0.68,t,7.1
H,51,1.13,q,7.1
H,52,1.13,q,7.1
H,53,2.04,dd,"12.4,11.1"
H,54,2.04,dd,"12.4,1.7"
H,55,2.83,m,
H,56,3.31,dd,"12.4,8.9"
H,57,3.31,dd,"12.4,9.1"
H,58,7.32,ddd,"8.9,1.4,0.5"
H,59,7.43,ddd,"8.9,7.5,1.4"
H,60,6.94,ddd,"8.1,7.5,1.4"
H,61,7.25,ddd,"8.1,1.4,0.5"
H,62,2.18,ddd,"12.4,11.6,5.5"
H,63,2.18,ddd,"12.4,11.7,5.4"
H,64,3.11,ddd,"11.6,9.4,5.4"
H,65,3.11,ddd,"11.7,9.4,5.5"
H,66,3.69,dd,"12.4,0.3"
H,67,3.69,dd,"12.4,3.5"
H,68,4.52,ddd,"6.3,3.5,0.3"
H,69,3.08,d,6.3
H,70,1.13,q,7.1
H,71,1.13,q,7.1
H,72,0.68,t,7.1
H,73,0.68,t,7.1
H,74,0.68,t,7.1
H,75,2.04,dd,"12.4,1.8"
H,76,2.04,dd,"12.4,11.9"
H,77,2.83,m,
H,78,3.31,dd,"12.4,4.6"
H,79,3.31,dd,"12.4,11.8"
H,80,7.32,ddd,"9.1,1.4,0.5"
H,81,7.43,ddd,"9.1,7.4,1.4"
H,82,6.94,ddd,"8.3,7.4,1.4"
H,83,7.25,ddd,"8.3,1.4,0.5"
H,84,2.18,ddd,"12.4,11.5,4.0"
H,85,2.18,ddd,"12.4,10.9,6.6"
H,86,3.11,ddd,"10.9,9.4,4.0"
H,87,3.11,ddd,"11.5,9.4,6.6"
H,88,3.69,dd,"12.4,0.4"
H,89,3.69,dd,"12.4,3.8"
H,90,4.52,ddd,"6.3,3.8,0.4"
H,91,3.08,d,6.3
H,92,2.67,s,
H,93,2.67,s,
