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,16,167.45,s,
O,17,,,
C,18,128.32,s,
C,19,14.13,s,
C,20,137.07,s,
C,21,29.79,s,
C,22,138.65,s,
C,23,18.61,s,
C,24,128.4,s,
C,25,69.64,s,
O,26,,,
C,27,39.01,s,
C,28,17.63,s,
C,29,135.3,s,
C,30,139.65,s,
C,31,16.68,s,
C,32,133.0,s,
C,33,139.65,s,
C,34,16.68,s,
C,35,137.27,s,
C,36,133.32,s,
C,37,69.64,s,
O,38,,,
C,39,38.31,s,
C,40,12.71,s,
C,41,81.52,s,
O,42,,,
C,43,57.81,s,
C,44,137.53,s,
C,45,14.8,s,
C,46,126.84,s,
C,47,126.34,s,
C,48,137.07,s,
C,49,39.01,s,
C,50,17.63,s,
C,51,114.97,s,
S,52,,,
H,53,3.15,s,
H,54,3.15,s,
H,55,3.15,s,
H,56,,,
H,57,4.52,t,5.9
H,58,1.88,t,5.9
H,59,1.88,t,5.9
H,60,1.64,m,"6.4,5.9"
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,66,0.87,d,6.4
H,67,4.52,d,5.0
H,68,1.93,s,
H,69,1.93,s,
H,70,1.93,s,
H,71,5.54,dd,"11.3,3.0"
H,72,3.07,dd,"18.4,11.3"
H,73,3.07,dd,"18.4,3.0"
H,74,1.75,s,
H,75,1.75,s,
H,76,1.75,s,
H,77,5.23,d,2.6
H,78,4.34,dd,"6.7,2.6"
H,79,,,
H,80,2.65,qdd,"6.8,6.7,4.9"
H,81,1.05,d,6.8
H,82,1.05,d,6.8
H,83,1.05,d,6.8
H,84,5.21,d,4.9
H,85,1.99,s,
H,86,1.99,s,
H,87,1.99,s,
H,88,6.11,s,
H,89,2.3,s,
H,90,2.3,s,
H,91,2.3,s,
H,92,6.36,d,12.0
H,93,6.14,dd,"12.0,2.8"
H,94,4.34,dd,"2.8,2.6"
H,95,,,
H,96,1.8,dqd,"10.3,6.6,2.6"
H,97,0.88,d,6.6
H,98,0.88,d,6.6
H,99,0.88,d,6.6
H,100,3.26,d,10.3
H,101,3.16,s,
H,102,3.16,s,
H,103,3.16,s,
H,104,1.87,s,
H,105,1.87,s,
H,106,1.87,s,
H,107,6.07,d,3.0
H,108,6.24,dd,"12.0,3.0"
H,109,5.54,dd,"12.0,2.9"
H,110,2.65,qdd,"6.8,5.0,2.9"
H,111,1.05,d,6.8
H,112,1.05,d,6.8
H,113,1.05,d,6.8
H,114,6.94,s,
