C,1,38.98,s,
N,2,,,
C,3,156.32,s,
O,4,,,
O,5,,,
C,6,73.63,s,
C,7,35.12,s,
C,8,24.83,s,
C,9,22.56,s,
C,10,22.56,s,
C,11,167.38,s,
N,12,,,
C,13,143.45,s,
C,14,78.4,s,
O,15,,,
C,16,172.04,s,
O,17,,,
C,18,37.73,s,
C,19,131.87,s,
C,20,132.37,s,
C,21,139.65,s,
C,22,16.68,s,
C,23,130.07,s,
C,24,69.64,s,
O,25,,,
C,26,39.01,s,
C,27,17.63,s,
C,28,135.3,s,
C,29,139.65,s,
C,30,16.68,s,
C,31,133.0,s,
C,32,139.65,s,
C,33,16.68,s,
C,34,137.27,s,
C,35,133.32,s,
C,36,69.64,s,
O,37,,,
C,38,38.31,s,
C,39,12.71,s,
C,40,81.52,s,
O,41,,,
C,42,57.81,s,
C,43,137.53,s,
C,44,14.8,s,
C,45,126.84,s,
C,46,126.34,s,
C,47,137.07,s,
C,48,39.01,s,
C,49,17.63,s,
C,50,114.97,s,
S,51,,,
H,52,3.15,s,
H,53,3.15,s,
H,54,3.15,s,
H,55,,,
H,56,4.52,t,5.9
H,57,1.88,t,5.9
H,58,1.88,t,5.9
H,59,1.64,m,"6.4,5.9"
H,60,0.87,d,6.4
H,61,0.87,d,6.4
H,62,0.87,d,6.4
H,63,0.87,d,6.4
H,64,0.87,d,6.4
H,65,0.87,d,6.4
H,66,4.52,d,2.2
H,67,3.06,dd,"18.4,2.6"
H,68,3.06,dd,"18.4,9.9"
H,69,5.83,ddd,"12.0,9.9,2.6"
H,70,7.38,d,12.0
H,71,1.78,s,
H,72,1.78,s,
H,73,1.78,s,
H,74,5.77,d,3.1
H,75,4.34,dd,"3.1,2.3"
H,76,,,
H,77,2.65,qdd,"6.8,2.6,2.3"
H,78,1.05,d,6.8
H,79,1.05,d,6.8
H,80,1.05,d,6.8
H,81,5.21,d,2.6
H,82,1.99,s,
H,83,1.99,s,
H,84,1.99,s,
H,85,6.11,s,
H,86,2.3,s,
H,87,2.3,s,
H,88,2.3,s,
H,89,6.36,d,12.0
H,90,6.14,dd,"12.0,3.3"
H,91,4.34,dd,"6.9,3.3"
H,92,,,
H,93,1.8,ddq,"9.5,6.9,6.6"
H,94,0.88,d,6.6
H,95,0.88,d,6.6
H,96,0.88,d,6.6
H,97,3.26,d,9.5
H,98,3.16,s,
H,99,3.16,s,
H,100,3.16,s,
H,101,1.87,s,
H,102,1.87,s,
H,103,1.87,s,
H,104,6.07,d,3.3
H,105,6.24,dd,"12.0,3.3"
H,106,5.54,dd,"12.0,6.1"
H,107,2.65,qdd,"6.8,6.1,2.2"
H,108,1.05,d,6.8
H,109,1.05,d,6.8
H,110,1.05,d,6.8
H,111,6.94,s,
