C,1,20.0,s,
C,2,33.36,s,
C,3,20.0,s,
C,4,43.06,s,
C,5,17.66,s,
C,6,134.37,s,
C,7,133.93,s,
C,8,40.5,s,
C,9,20.26,s,
C,10,56.0,s,
C,11,28.27,s,
C,12,23.1,s,
C,13,54.6,s,
C,14,139.35,s,
C,15,130.07,s,
C,16,73.63,s,
O,17,,,
C,18,147.3,s,
C,19,118.6,s,
N,20,,,
C,21,61.74,s,
C,22,43.68,s,
C,23,68.73,s,
O,24,,,
C,25,30.97,s,
C,26,35.28,s,
C,27,41.86,s,
C,28,23.79,s,
C,29,47.74,s,
C,30,20.37,s,
C,31,38.11,s,
C,32,44.23,s,
C,33,11.8,s,
C,34,181.15,s,
O,35,,,
C,36,112.86,s,
C,37,159.52,s,
O,38,,,
C,39,130.1,s,
C,40,152.97,s,
C,41,125.33,s,
C,42,124.8,s,
C,43,118.68,s,
C,44,158.73,s,
O,45,,,
C,46,130.1,s,
C,47,133.34,s,
O,48,,,
C,49,88.23,s,
C,50,18.37,s,
C,51,41.86,s,
C,52,23.79,s,
C,53,23.79,s,
H,54,0.81,d,6.4
H,55,0.81,d,6.4
H,56,0.81,d,6.4
H,57,1.87,m,"6.4,5.5"
H,58,0.81,d,6.4
H,59,0.81,d,6.4
H,60,0.81,d,6.4
H,61,2.33,dqd,"7.0,6.8,5.5"
H,62,0.89,d,6.8
H,63,0.89,d,6.8
H,64,0.89,d,6.8
H,65,5.2,dd,"15.0,7.0"
H,66,5.12,dd,"15.0,7.0"
H,67,2.33,dqd,"7.0,6.8,5.9"
H,68,0.89,d,6.8
H,69,0.89,d,6.8
H,70,0.89,d,6.8
H,71,1.61,ddd,"12.9,6.3,5.9"
H,72,1.48,m,
H,73,1.48,m,
H,74,1.58,m,
H,75,1.58,m,
H,76,2.94,dd,"11.1,5.5"
H,77,5.77,d,3.5
H,78,4.52,d,3.5
H,79,,,
H,80,2.42,dd,"12.4,8.4"
H,81,2.42,dd,"12.4,7.7"
H,82,4.13,m,
H,83,,,
H,84,1.56,m,
H,85,1.56,m,
H,86,1.72,ddd,"12.4,10.3,1.5"
H,87,1.72,ddd,"12.4,9.9,7.0"
H,88,0.85,s,
H,89,0.85,s,
H,90,0.85,s,
H,91,2.94,dd,"10.2,8.5"
H,92,1.71,m,
H,93,1.71,m,
H,94,1.57,ddd,"12.4,8.3,1.5"
H,95,1.57,ddd,"12.4,10.8,7.7"
H,96,0.57,s,
H,97,0.57,s,
H,98,0.57,s,
H,99,,,
H,100,8.17,d,6.9
H,101,7.29,d,6.9
H,102,,,
H,103,4.52,q,6.2
H,104,1.31,d,6.2
H,105,1.31,d,6.2
H,106,1.31,d,6.2
H,107,1.13,s,
H,108,1.13,s,
H,109,1.13,s,
H,110,1.13,s,
H,111,1.13,s,
H,112,1.13,s,
