C,1,21.23,s,
C,2,170.21,s,
O,3,,,
O,4,,,
C,5,77.06,s,
C,6,44.32,s,
C,7,47.59,s,
C,8,18.0,s,
C,9,49.26,s,
C,10,27.0,s,
C,11,27.0,s,
C,12,45.0,s,
C,13,135.3,s,
C,14,129.7,s,
C,15,138.9,s,
C,16,127.96,s,
C,17,37.92,s,
C,18,44.5,s,
C,19,17.13,s,
C,20,59.7,s,
C,21,55.31,s,
C,22,15.47,s,
N,23,,,
C,24,40.0,s,
C,25,40.0,s,
C,26,40.92,s,
C,27,29.71,s,
C,28,57.53,s,
N,29,,,
C,30,162.36,s,
O,31,,,
C,32,126.21,s,
C,33,127.79,s,
C,34,128.69,s,
C,35,131.72,s,
C,36,128.69,s,
C,37,127.79,s,
C,38,41.86,s,
C,39,23.79,s,
C,40,67.18,s,
O,41,,,
H,42,2.02,s,
H,43,2.02,s,
H,44,2.02,s,
H,45,4.88,ddd,"10.2,2.2,1.9"
H,46,2.2,dd,"12.4,1.9"
H,47,2.2,dd,"12.4,10.2"
H,48,1.02,s,
H,49,1.02,s,
H,50,1.02,s,
H,51,2.68,dd,"11.1,2.3"
H,52,1.46,m,
H,53,1.46,m,
H,54,1.46,m,
H,55,1.46,m,
H,56,2.94,dd,"7.2,3.0"
H,57,7.39,s,
H,58,5.54,dd,"4.8,2.9"
H,59,2.03,dd,"15.4,4.8"
H,60,2.03,dd,"15.4,2.9"
H,61,1.02,s,
H,62,1.02,s,
H,63,1.02,s,
H,64,2.83,dd,"5.4,2.2"
H,65,3.34,qd,"6.3,5.4"
H,66,1.25,d,6.3
H,67,1.25,d,6.3
H,68,1.25,d,6.3
H,69,2.38,s,
H,70,2.38,s,
H,71,2.38,s,
H,72,2.38,s,
H,73,2.38,s,
H,74,2.38,s,
H,75,2.37,ddd,"15.4,12.8,5.8"
H,76,2.37,ddd,"15.4,5.6,1.7"
H,77,1.84,m,
H,78,1.84,m,
H,79,4.28,dd,"4.4,2.5"
H,80,,,
H,81,7.97,m,
H,82,7.43,m,
H,83,7.45,ddt,"7.9,7.2,1.4"
H,84,7.43,m,
H,85,7.97,m,
H,86,1.13,s,
H,87,1.13,s,
H,88,1.13,s,
H,89,3.97,s,
H,90,3.97,s,
H,91,,,
