C,1,56.23,s,
O,2,,,
C,3,153.49,s,
C,4,110.47,s,
C,5,124.1,s,
C,6,129.11,s,
C,7,145.43,s,
C,8,139.54,s,
O,9,,,
C,10,60.99,s,
O,11,,,
C,12,154.2,s,
C,13,120.41,s,
C,14,129.14,s,
C,15,128.8,s,
C,16,129.14,s,
C,17,120.41,s,
C,18,41.7,s,
C,19,55.95,s,
N,20,,,
C,21,41.32,s,
C,22,27.94,s,
C,23,129.13,s,
C,24,110.47,s,
C,25,153.49,s,
O,26,,,
C,27,56.23,s,
C,28,139.54,s,
O,29,,,
C,30,60.99,s,
C,31,145.43,s,
C,32,125.15,s,
O,33,,,
C,34,154.2,s,
C,35,120.41,s,
C,36,124.1,s,
C,37,132.34,s,
C,38,124.1,s,
C,39,120.41,s,
C,40,39.3,s,
C,41,58.5,s,
N,42,,,
C,43,41.9,s,
C,44,43.1,s,
C,45,23.3,s,
H,46,3.87,s,
H,47,3.87,s,
H,48,3.87,s,
H,49,6.46,s,
H,50,3.81,s,
H,51,3.81,s,
H,52,3.81,s,
H,53,7.06,ddd,"23.6,1.9,0.5"
H,54,7.22,ddd,"23.6,1.9,0.5"
H,55,7.22,ddd,"24.5,1.9,0.5"
H,56,7.06,ddd,"24.5,1.9,0.5"
H,57,3.01,dd,"15.4,2.5"
H,58,3.01,dd,"15.4,12.1"
H,59,4.49,dd,"12.1,2.5"
H,60,,,
H,61,3.09,ddd,"12.4,10.2,7.2"
H,62,3.09,ddd,"12.4,10.9,2.0"
H,63,2.83,ddd,"15.4,10.2,2.0"
H,64,2.83,ddd,"15.4,10.9,7.2"
H,65,6.46,s,
H,66,3.87,s,
H,67,3.87,s,
H,68,3.87,s,
H,69,3.81,s,
H,70,3.81,s,
H,71,3.81,s,
H,72,7.06,ddd,"20.3,1.9,0.5"
H,73,7.22,ddd,"20.3,1.9,0.5"
H,74,7.22,ddd,"27.2,1.9,0.5"
H,75,7.06,ddd,"27.2,1.9,0.5"
H,76,4.97,dd,"15.4,7.9"
H,77,4.97,dd,"15.4,4.7"
H,78,4.39,dd,"7.9,4.7"
H,79,2.53,s,
H,80,2.53,s,
H,81,2.53,s,
H,82,2.78,ddd,"12.4,9.3,8.8"
H,83,2.78,ddd,"12.4,9.3,1.1"
H,84,2.85,ddd,"15.4,9.3,8.8"
H,85,2.85,ddd,"15.4,9.3,1.1"
