C,1,22.12,s,
C,2,24.52,s,
C,3,22.12,s,
C,4,38.98,s,
C,5,76.12,s,
O,6,,,
C,7,172.04,s,
O,8,,,
C,9,33.25,s,
C,10,48.69,s,
N,11,,,
C,12,162.36,s,
O,13,,,
C,14,57.53,s,
C,15,36.24,s,
C,16,24.66,s,
C,17,22.42,s,
C,18,22.42,s,
N,19,,,
C,20,31.45,s,
C,21,170.49,s,
O,22,,,
C,23,57.6,s,
C,24,26.86,s,
C,25,18.39,s,
C,26,18.39,s,
N,27,,,
C,28,30.17,s,
C,29,169.5,s,
O,30,,,
C,31,57.53,s,
C,32,32.8,s,
C,33,134.98,s,
C,34,129.1,s,
C,35,128.8,s,
C,36,126.94,s,
C,37,128.8,s,
C,38,129.1,s,
N,39,,,
C,40,162.36,s,
O,41,,,
C,42,57.53,s,
C,43,29.71,s,
C,44,23.68,s,
C,45,47.03,s,
N,46,,,
C,47,171.19,s,
O,48,,,
H,49,0.87,d,6.4
H,50,0.87,d,6.4
H,51,0.87,d,6.4
H,52,1.64,m,"6.4,5.9"
H,53,0.87,d,6.4
H,54,0.87,d,6.4
H,55,0.87,d,6.4
H,56,1.88,dd,"6.0,5.9"
H,57,1.88,dd,"6.0,5.9"
H,58,4.68,t,6.0
H,59,2.73,ddd,"15.4,11.2,7.5"
H,60,2.73,ddd,"15.4,11.2,1.6"
H,61,3.5,ddd,"12.4,11.2,1.6"
H,62,3.5,ddd,"12.4,11.2,7.5"
H,63,,,
H,64,4.28,t,6.5
H,65,1.87,dd,"6.5,5.9"
H,66,1.87,dd,"6.5,5.9"
H,67,1.67,m,"6.4,5.9"
H,68,0.8,d,6.4
H,69,0.8,d,6.4
H,70,0.8,d,6.4
H,71,0.8,d,6.4
H,72,0.8,d,6.4
H,73,0.8,d,6.4
H,74,2.91,s,
H,75,2.91,s,
H,76,2.91,s,
H,77,5.24,d,5.7
H,78,2.41,m,"6.4,5.7"
H,79,0.85,d,6.4
H,80,0.85,d,6.4
H,81,0.85,d,6.4
H,82,0.85,d,6.4
H,83,0.85,d,6.4
H,84,0.85,d,6.4
H,85,2.99,s,
H,86,2.99,s,
H,87,2.99,s,
H,88,3.58,t,6.2
H,89,3.5,d,6.2
H,90,3.5,d,6.2
H,91,7.25,m,
H,92,7.24,m,
H,93,7.22,ddt,"8.3,7.4,1.4"
H,94,7.24,tdd,"8.3,1.4,0.5"
H,95,7.25,m,
H,96,,,
H,97,4.28,dd,"7.4,0.4"
H,98,1.84,m,
H,99,1.84,m,
H,100,1.9,m,
H,101,1.9,m,
H,102,3.7,ddd,"12.4,10.2,1.2"
H,103,3.7,ddd,"12.4,9.5,8.5"
