C,1,55.8,s,
O,2,,,
C,3,154.57,s,
C,4,111.07,s,
C,5,127.97,s,
C,6,126.2,s,
C,7,125.03,s,
C,8,144.84,s,
O,9,,,
C,10,60.36,s,
C,11,35.29,s,
C,12,62.2,s,
C,13,126.68,s,
C,14,126.6,s,
C,15,106.1,s,
C,16,146.6,s,
C,17,141.7,s,
C,18,124.28,s,
O,19,,,
C,20,100.2,s,
O,21,,,
C,22,29.2,s,
C,23,52.96,s,
N,24,,,
C,25,43.72,s,
C,26,55.8,s,
O,27,,,
C,28,154.57,s,
C,29,111.07,s,
C,30,127.97,s,
C,31,126.2,s,
C,32,125.03,s,
C,33,144.84,s,
O,34,,,
C,35,60.36,s,
C,36,35.29,s,
C,37,62.2,s,
C,38,126.68,s,
C,39,126.6,s,
C,40,106.1,s,
C,41,146.6,s,
C,42,141.7,s,
C,43,124.28,s,
O,44,,,
C,45,100.2,s,
O,46,,,
C,47,29.2,s,
C,48,52.96,s,
N,49,,,
C,50,43.72,s,
H,51,3.87,s,
H,52,3.87,s,
H,53,3.87,s,
H,54,6.84,d,8.6
H,55,7.43,d,8.6
H,56,3.78,s,
H,57,3.78,s,
H,58,3.78,s,
H,59,3.01,dd,"15.4,8.3"
H,60,3.01,dd,"15.4,10.2"
H,61,2.97,dd,"10.2,8.3"
H,62,6.68,s,
H,63,5.88,s,
H,64,5.88,s,
H,65,2.96,ddd,"15.4,13.8,5.3"
H,66,2.96,ddd,"15.4,3.6,0.8"
H,67,2.78,ddd,"13.8,12.4,3.6"
H,68,2.78,ddd,"12.4,5.3,0.8"
H,69,2.55,s,
H,70,2.55,s,
H,71,2.55,s,
H,72,3.87,s,
H,73,3.87,s,
H,74,3.87,s,
H,75,6.84,d,7.0
H,76,7.43,d,7.0
H,77,3.78,s,
H,78,3.78,s,
H,79,3.78,s,
H,80,3.01,dd,"15.4,11.1"
H,81,3.01,dd,"15.4,7.4"
H,82,2.97,dd,"11.1,7.4"
H,83,6.68,s,
H,84,5.88,s,
H,85,5.88,s,
H,86,2.96,ddd,"15.4,10.3,9.0"
H,87,2.96,ddd,"15.4,9.1,0.6"
H,88,2.78,ddd,"12.4,10.3,0.6"
H,89,2.78,ddd,"12.4,9.1,9.0"
H,90,2.55,s,
H,91,2.55,s,
H,92,2.55,s,
