C,1,13.2,s,
C,2,47.94,s,
N,3,,,
C,4,48.06,s,
C,5,43.11,s,
C,6,77.1,s,
O,7,,,
C,8,58.53,s,
C,9,47.89,s,
C,10,82.2,s,
O,11,,,
C,12,57.8,s,
C,13,48.5,s,
C,14,61.2,s,
C,15,50.1,s,
C,16,83.64,s,
O,17,,,
C,18,56.17,s,
C,19,37.72,s,
C,20,78.41,s,
O,21,,,
C,22,170.18,s,
C,23,21.24,s,
O,24,,,
C,25,41.4,s,
C,26,36.2,s,
C,27,74.2,s,
O,28,,,
C,29,83.52,s,
O,30,,,
C,31,49.1,s,
C,32,40.59,s,
C,33,85.8,s,
O,34,,,
C,35,170.11,s,
C,36,21.54,s,
O,37,,,
C,38,48.16,s,
C,39,79.1,s,
O,40,,,
C,41,166.26,s,
O,42,,,
C,43,123.71,s,
C,44,131.99,s,
C,45,113.7,s,
C,46,163.46,s,
O,47,,,
C,48,55.32,s,
C,49,113.7,s,
C,50,131.99,s,
H,51,1.07,t,6.8
H,52,1.07,t,6.8
H,53,1.07,t,6.8
H,54,2.5,q,6.8
H,55,2.5,q,6.8
H,56,2.7,s,
H,57,2.7,s,
H,58,3.83,s,
H,59,3.83,s,
H,60,3.15,s,
H,61,3.15,s,
H,62,3.15,s,
H,63,2.3,d,8.7
H,64,4.09,dd,"8.7,1.3"
H,65,3.2,s,
H,66,3.2,s,
H,67,3.2,s,
H,68,2.99,dd,"1.3,0.7"
H,69,2.9,d,0.7
H,70,3.07,dd,"5.6,1.7"
H,71,3.19,s,
H,72,3.19,s,
H,73,3.19,s,
H,74,2.38,ddd,"12.4,5.6,4.7"
H,75,2.38,ddd,"12.4,1.7,1.6"
H,76,4.89,dd,"4.7,1.6"
H,77,2.01,s,
H,78,2.01,s,
H,79,2.01,s,
H,80,2.08,ddd,"11.2,7.3,5.7"
H,81,1.96,dd,"12.4,11.2"
H,82,1.96,dd,"12.4,5.7"
H,83,,,
H,84,4.54,dd,"10.1,4.5"
H,85,3.28,s,
H,86,3.28,s,
H,87,3.28,s,
H,88,3.0,dd,"12.4,10.1"
H,89,3.0,dd,"12.4,4.5"
H,90,1.32,s,
H,91,1.32,s,
H,92,1.32,s,
H,93,2.84,dd,"7.3,5.7"
H,94,4.96,d,5.7
H,95,7.94,ddd,"7.2,1.9,0.5"
H,96,6.88,ddd,"7.2,1.9,0.5"
H,97,3.76,s,
H,98,3.76,s,
H,99,3.76,s,
H,100,6.88,ddd,"8.0,1.9,0.5"
H,101,7.94,ddd,"8.0,1.9,0.5"
