C,1,42.85,s,
N,2,,,
C,3,46.25,s,
C,4,35.7,s,
C,5,43.0,s,
C,6,131.53,s,
C,7,125.03,s,
C,8,156.64,s,
O,9,,,
C,10,148.66,s,
C,11,111.07,s,
C,12,118.77,s,
C,13,127.0,s,
C,14,130.9,s,
C,15,145.4,s,
O,16,,,
C,17,91.3,s,
C,18,66.4,s,
O,19,,,
C,20,133.3,s,
C,21,128.3,s,
C,22,40.7,s,
C,23,58.4,s,
C,24,20.4,s,
N,25,,,
C,26,42.85,s,
C,27,46.25,s,
C,28,35.8,s,
C,29,43.0,s,
C,30,100.37,s,
C,31,147.18,s,
O,32,,,
C,33,146.3,s,
O,34,,,
C,35,91.4,s,
C,36,66.4,s,
O,37,,,
C,38,133.3,s,
C,39,128.3,s,
C,40,40.65,s,
C,41,57.8,s,
C,42,35.29,s,
H,43,2.35,s,
H,44,2.35,s,
H,45,2.35,s,
H,46,2.58,ddd,"12.4,8.8,1.7"
H,47,2.58,ddd,"12.4,10.4,7.0"
H,48,2.18,ddd,"12.4,10.4,8.8"
H,49,2.18,ddd,"12.4,7.0,1.7"
H,50,6.84,d,7.2
H,51,6.62,d,7.2
H,52,4.77,d,0.4
H,53,4.22,dd,"4.9,0.4"
H,54,,,
H,55,6.14,dd,"11.0,4.9"
H,56,6.16,dd,"11.0,2.6"
H,57,2.83,dd,"4.3,2.6"
H,58,3.6,ddd,"7.8,4.3,1.2"
H,59,3.01,dd,"15.4,7.8"
H,60,3.01,dd,"15.4,1.2"
H,61,2.35,s,
H,62,2.35,s,
H,63,2.35,s,
H,64,2.58,ddd,"12.4,7.0,1.7"
H,65,2.58,ddd,"12.4,11.8,6.6"
H,66,2.18,ddd,"12.4,11.8,7.0"
H,67,2.18,ddd,"12.4,6.6,1.7"
H,68,6.76,s,
H,69,,,
H,70,4.77,d,6.3
H,71,4.22,dd,"6.3,3.7"
H,72,,,
H,73,6.14,dd,"11.0,3.7"
H,74,6.16,dd,"11.0,2.6"
H,75,2.83,dd,"2.9,2.6"
H,76,3.6,ddd,"8.9,2.9,1.4"
H,77,3.01,dd,"15.4,1.4"
H,78,3.01,dd,"15.4,8.9"
