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,7,170.15,s,
O,8,,,
C,9,65.75,s,
C,10,34.34,s,
C,11,136.9,s,
C,12,129.3,s,
C,13,128.9,s,
C,14,126.94,s,
C,15,128.9,s,
C,16,129.3,s,
N,17,,,
C,18,31.45,s,
C,19,171.19,s,
O,20,,,
C,21,77.6,s,
C,22,29.6,s,
C,23,18.3,s,
C,24,18.3,s,
O,25,,,
C,26,170.4,s,
O,27,,,
C,28,65.75,s,
C,29,34.34,s,
C,30,136.9,s,
C,31,129.3,s,
C,32,128.9,s,
C,33,126.94,s,
C,34,128.9,s,
C,35,129.3,s,
N,36,,,
C,37,31.45,s,
C,38,171.19,s,
O,39,,,
C,40,77.6,s,
C,41,29.6,s,
C,42,18.3,s,
C,43,18.3,s,
O,44,,,
C,45,170.4,s,
O,46,,,
C,47,65.75,s,
C,48,34.34,s,
C,49,136.9,s,
C,50,129.3,s,
C,51,128.9,s,
C,52,126.94,s,
C,53,128.9,s,
C,54,129.3,s,
N,55,,,
C,56,31.45,s,
C,57,171.19,s,
O,58,,,
H,59,0.87,d,6.4
H,60,0.87,d,6.4
H,61,0.87,d,6.4
H,62,1.64,m,"6.4,5.9"
H,63,0.87,d,6.4
H,64,0.87,d,6.4
H,65,0.87,d,6.4
H,66,1.88,dd,"6.0,5.9"
H,67,1.88,dd,"6.0,5.9"
H,68,4.68,t,6.0
H,69,5.9,t,6.5
H,70,3.51,d,6.5
H,71,3.51,d,6.5
H,72,7.27,m,
H,73,7.24,m,
H,74,7.22,ddt,"8.1,7.9,1.4"
H,75,7.24,m,
H,76,7.27,m,
H,77,2.91,s,
H,78,2.91,s,
H,79,2.91,s,
H,80,4.64,d,5.2
H,81,2.29,m,"6.4,5.2"
H,82,0.95,d,6.4
H,83,0.95,d,6.4
H,84,0.95,d,6.4
H,85,0.95,d,6.4
H,86,0.95,d,6.4
H,87,0.95,d,6.4
H,88,5.9,t,6.5
H,89,3.51,d,6.5
H,90,3.51,d,6.5
H,91,7.27,m,
H,92,7.24,m,
H,93,7.22,ddt,"9.2,7.5,1.4"
H,94,7.24,m,
H,95,7.27,m,
H,96,2.91,s,
H,97,2.91,s,
H,98,2.91,s,
H,99,4.64,d,5.2
H,100,2.29,m,"6.4,5.2"
H,101,0.95,d,6.4
H,102,0.95,d,6.4
H,103,0.95,d,6.4
H,104,0.95,d,6.4
H,105,0.95,d,6.4
H,106,0.95,d,6.4
H,107,5.9,t,6.5
H,108,3.51,d,6.5
H,109,3.51,d,6.5
H,110,7.27,m,
H,111,7.24,m,
H,112,7.22,ddt,"8.0,7.2,1.4"
H,113,7.24,m,
H,114,7.27,m,
H,115,2.91,s,
H,116,2.91,s,
H,117,2.91,s,
