C,1,15.35,s,
C,2,60.43,s,
O,3,,,
C,4,92.2,s,
C,5,78.9,s,
O,6,,,
C,7,90.3,s,
O,8,,,
C,9,60.9,s,
C,10,74.2,s,
O,11,,,
C,12,36.2,s,
C,13,41.4,s,
C,14,45.2,s,
C,15,79.1,s,
O,16,,,
C,17,166.26,s,
O,18,,,
C,19,123.71,s,
C,20,131.99,s,
C,21,113.7,s,
C,22,163.46,s,
O,23,,,
C,24,55.32,s,
C,25,113.7,s,
C,26,131.99,s,
C,27,50.1,s,
C,28,83.7,s,
O,29,,,
C,30,56.17,s,
C,31,34.1,s,
C,32,71.4,s,
O,33,,,
C,34,43.4,s,
C,35,77.1,s,
O,36,,,
C,37,58.53,s,
C,38,48.8,s,
N,39,,,
C,40,47.2,s,
C,41,13.2,s,
C,42,60.6,s,
C,43,44.5,s,
C,44,82.2,s,
O,45,,,
C,46,59.0,s,
C,47,47.2,s,
H,48,1.24,t,6.7
H,49,1.24,t,6.7
H,50,1.24,t,6.7
H,51,3.66,q,6.7
H,52,3.66,q,6.7
H,53,4.12,d,6.6
H,54,,,
H,55,4.76,d,6.6
H,56,3.42,s,
H,57,3.42,s,
H,58,3.42,s,
H,59,,,
H,60,1.96,dd,"12.4,8.6"
H,61,1.96,dd,"12.4,9.9"
H,62,2.08,ddd,"9.9,8.6,6.3"
H,63,2.52,dd,"6.3,1.9"
H,64,4.96,d,1.9
H,65,7.94,ddd,"7.2,1.9,0.5"
H,66,6.88,ddd,"7.2,1.9,0.5"
H,67,3.76,s,
H,68,3.76,s,
H,69,3.76,s,
H,70,6.88,ddd,"7.0,1.9,0.5"
H,71,7.94,ddd,"7.0,1.9,0.5"
H,72,3.13,dd,"4.2,3.2"
H,73,3.19,s,
H,74,3.19,s,
H,75,3.19,s,
H,76,2.11,ddd,"12.4,8.9,4.2"
H,77,2.11,ddd,"12.4,7.7,3.2"
H,78,3.78,dd,"8.9,7.7"
H,79,,,
H,80,3.61,s,
H,81,3.61,s,
H,82,3.15,s,
H,83,3.15,s,
H,84,3.15,s,
H,85,2.82,s,
H,86,2.82,s,
H,87,2.5,q,6.8
H,88,2.5,q,6.8
H,89,1.07,t,6.8
H,90,1.07,t,6.8
H,91,1.07,t,6.8
H,92,2.83,d,1.5
H,93,2.42,dd,"1.5,1.1"
H,94,4.08,dd,"8.4,1.1"
H,95,3.2,s,
H,96,3.2,s,
H,97,3.2,s,
H,98,3.02,d,8.4
