C,1,57.0,s,
O,2,,,
C,3,138.65,s,
C,4,97.47,s,
C,5,156.64,s,
O,6,,,
C,7,145.43,s,
C,8,150.42,s,
O,9,,,
C,10,56.02,s,
C,11,111.24,s,
C,12,118.85,s,
C,13,129.8,s,
C,14,121.19,s,
C,15,125.7,s,
C,16,142.0,s,
O,17,,,
C,18,62.0,s,
C,19,151.25,s,
O,20,,,
C,21,55.67,s,
C,22,111.1,s,
C,23,129.0,s,
C,24,120.1,s,
C,25,62.9,s,
C,26,35.9,s,
N,27,,,
C,28,43.75,s,
C,29,53.03,s,
C,30,29.4,s,
C,31,125.03,s,
C,32,121.19,s,
C,33,143.95,s,
O,34,,,
C,35,125.7,s,
C,36,142.0,s,
O,37,,,
C,38,62.0,s,
C,39,151.25,s,
O,40,,,
C,41,55.67,s,
C,42,111.1,s,
C,43,129.0,s,
C,44,120.1,s,
C,45,62.2,s,
C,46,35.29,s,
N,47,,,
C,48,43.72,s,
C,49,52.96,s,
C,50,29.4,s,
H,51,3.85,s,
H,52,3.85,s,
H,53,3.85,s,
H,54,6.73,s,
H,55,3.87,s,
H,56,3.87,s,
H,57,3.87,s,
H,58,6.62,d,7.6
H,59,7.11,d,7.6
H,60,3.78,s,
H,61,3.78,s,
H,62,3.78,s,
H,63,3.81,s,
H,64,3.81,s,
H,65,3.81,s,
H,66,6.73,s,
H,67,2.89,dd,"9.4,5.8"
H,68,2.78,dd,"15.4,5.8"
H,69,2.78,dd,"15.4,9.4"
H,70,2.55,s,
H,71,2.55,s,
H,72,2.55,s,
H,73,2.78,ddd,"12.4,11.0,4.6"
H,74,2.78,ddd,"12.4,11.5,4.4"
H,75,2.96,ddd,"15.4,11.5,4.6"
H,76,2.96,ddd,"15.4,11.0,4.4"
H,77,,,
H,78,3.78,s,
H,79,3.78,s,
H,80,3.78,s,
H,81,3.81,s,
H,82,3.81,s,
H,83,3.81,s,
H,84,6.73,s,
H,85,2.97,dd,"12.5,3.7"
H,86,3.01,dd,"15.4,3.7"
H,87,3.01,dd,"15.4,12.5"
H,88,2.55,s,
H,89,2.55,s,
H,90,2.55,s,
H,91,2.78,ddd,"13.7,12.4,4.6"
H,92,2.78,ddd,"12.4,5.4,2.2"
H,93,2.96,ddd,"15.4,13.7,5.4"
H,94,2.96,ddd,"15.4,4.6,2.2"
