C,1,68.88,s,
C,2,83.84,s,
C,3,18.03,s,
C,4,23.8,s,
C,5,30.57,s,
C,6,78.41,s,
O,7,,,
C,8,171.36,s,
O,9,,,
C,10,57.53,s,
C,11,19.8,s,
N,12,,,
C,13,162.36,s,
O,14,,,
C,15,57.53,s,
C,16,35.29,s,
C,17,134.98,s,
C,18,129.1,s,
C,19,128.8,s,
C,20,126.94,s,
C,21,128.8,s,
C,22,129.1,s,
N,23,,,
C,24,31.45,s,
C,25,171.67,s,
O,26,,,
C,27,58.57,s,
C,28,28.74,s,
C,29,24.42,s,
C,30,47.47,s,
N,31,,,
C,32,167.9,s,
O,33,,,
C,34,56.3,s,
C,35,35.1,s,
C,36,136.8,s,
C,37,129.4,s,
C,38,128.58,s,
C,39,126.94,s,
C,40,128.58,s,
C,41,129.4,s,
N,42,,,
C,43,33.32,s,
C,44,169.5,s,
O,45,,,
C,46,57.53,s,
C,47,30.56,s,
C,48,18.38,s,
C,49,18.38,s,
N,50,,,
C,51,162.36,s,
O,52,,,
C,53,41.86,s,
C,54,23.79,s,
C,55,23.79,s,
H,56,2.09,s,
H,57,2.2,t,6.8
H,58,2.2,t,6.8
H,59,1.66,tt,"6.8,6.6"
H,60,1.66,tt,"6.8,6.6"
H,61,1.8,td,"6.6,5.9"
H,62,1.8,td,"6.6,5.9"
H,63,4.77,t,5.9
H,64,4.28,q,6.5
H,65,1.29,d,6.5
H,66,1.29,d,6.5
H,67,1.29,d,6.5
H,68,,,
H,69,4.28,t,6.6
H,70,3.01,d,6.6
H,71,3.01,d,6.6
H,72,7.25,m,
H,73,7.24,m,
H,74,7.22,ddt,"8.8,7.6,1.4"
H,75,7.24,m,
H,76,7.25,m,
H,77,2.91,s,
H,78,2.91,s,
H,79,2.91,s,
H,80,4.68,dd,"5.4,0.7"
H,81,1.9,m,
H,82,1.9,m,
H,83,2.22,m,
H,84,2.22,m,
H,85,3.7,ddd,"12.4,9.7,8.9"
H,86,3.7,ddd,"12.4,9.0,0.6"
H,87,4.49,t,6.5
H,88,3.18,d,6.5
H,89,3.18,d,6.5
H,90,7.31,m,
H,91,7.24,m,
H,92,7.22,ddt,"8.6,7.3,1.4"
H,93,7.24,m,
H,94,7.31,m,
H,95,2.92,s,
H,96,2.92,s,
H,97,2.92,s,
H,98,5.02,d,5.3
H,99,2.09,m,"6.4,5.3"
H,100,0.88,d,6.4
H,101,0.88,d,6.4
H,102,0.88,d,6.4
H,103,0.88,d,6.4
H,104,0.88,d,6.4
H,105,0.88,d,6.4
H,106,,,
H,107,1.13,s,
H,108,1.13,s,
H,109,1.13,s,
H,110,1.13,s,
H,111,1.13,s,
H,112,1.13,s,
