C,1,55.95,s,
O,2,,,
C,3,148.97,s,
C,4,110.47,s,
C,5,138.21,s,
C,6,35.47,s,
C,7,124.41,s,
C,8,128.98,s,
C,9,137.0,s,
C,10,116.6,s,
C,11,132.07,s,
C,12,190.29,s,
O,13,,,
C,14,159.54,s,
N,15,,,
C,16,42.39,s,
C,17,27.94,s,
C,18,131.87,s,
C,19,110.04,s,
C,20,150.06,s,
O,21,,,
C,22,55.95,s,
C,23,140.7,s,
O,24,,,
C,25,56.26,s,
C,26,110.34,s,
C,27,128.65,s,
C,28,145.43,s,
O,29,,,
C,30,60.98,s,
C,31,145.43,s,
O,32,,,
C,33,60.98,s,
C,34,133.4,s,
C,35,44.3,s,
C,36,64.8,s,
C,37,131.87,s,
C,38,110.33,s,
C,39,151.83,s,
O,40,,,
C,41,56.31,s,
C,42,139.54,s,
O,43,,,
C,44,60.99,s,
C,45,149.4,s,
O,46,,,
C,47,60.7,s,
C,48,125.03,s,
C,49,23.0,s,
C,50,50.18,s,
N,51,,,
C,52,42.33,s,
C,53,113.5,s,
C,54,146.8,s,
O,55,,,
C,56,55.95,s,
H,57,3.8,s,
H,58,3.8,s,
H,59,3.8,s,
H,60,6.68,s,
H,61,2.61,s,
H,62,2.61,s,
H,63,6.18,d,7.3
H,64,7.56,d,7.3
H,65,9.84,s,
H,66,,,
H,67,3.11,ddd,"13.3,12.4,2.9"
H,68,3.11,ddd,"12.4,6.3,2.0"
H,69,2.83,ddd,"15.4,13.3,6.3"
H,70,2.83,ddd,"15.4,2.9,2.0"
H,71,6.68,d,0.5
H,72,3.8,s,
H,73,3.8,s,
H,74,3.8,s,
H,75,3.8,s,
H,76,3.8,s,
H,77,3.8,s,
H,78,6.94,d,0.5
H,79,3.84,s,
H,80,3.84,s,
H,81,3.84,s,
H,82,3.84,s,
H,83,3.84,s,
H,84,3.84,s,
H,85,3.13,d,6.2
H,86,3.13,d,6.2
H,87,4.39,t,6.2
H,88,6.64,s,
H,89,3.87,s,
H,90,3.87,s,
H,91,3.87,s,
H,92,3.81,s,
H,93,3.81,s,
H,94,3.81,s,
H,95,3.84,s,
H,96,3.84,s,
H,97,3.84,s,
H,98,2.59,ddd,"15.4,13.0,4.8"
H,99,2.59,ddd,"15.4,4.3,3.2"
H,100,2.78,ddd,"13.0,12.4,4.3"
H,101,2.78,ddd,"12.4,4.8,3.2"
H,102,2.54,s,
H,103,2.54,s,
H,104,2.54,s,
H,105,6.68,s,
H,106,3.8,s,
H,107,3.8,s,
H,108,3.8,s,
