C,1,18.52,s,
C,2,35.16,s,
C,3,31.04,s,
C,4,35.28,s,
C,5,48.0,s,
C,6,174.33,s,
O,7,,,
O,8,,,
C,9,95.48,s,
O,10,,,
C,11,78.59,s,
C,12,62.47,s,
O,13,,,
C,14,71.06,s,
O,15,,,
C,16,78.34,s,
O,17,,,
C,18,70.15,s,
O,19,,,
C,20,32.5,s,
C,21,24.9,s,
C,22,42.0,s,
C,23,19.7,s,
C,24,146.47,s,
C,25,158.51,s,
C,26,37.05,s,
C,27,17.23,s,
C,28,126.6,s,
C,29,136.39,s,
C,30,40.4,s,
C,31,40.5,s,
C,32,16.1,s,
C,33,33.77,s,
C,34,18.82,s,
C,35,51.09,s,
C,36,43.25,s,
C,37,23.65,s,
C,38,65.75,s,
O,39,,,
C,40,85.6,s,
O,41,,,
C,42,69.1,s,
O,43,,,
C,44,41.96,s,
C,45,39.0,s,
C,46,15.22,s,
H,47,0.92,d,6.5
H,48,0.92,d,6.5
H,49,0.92,d,6.5
H,50,1.68,m,
H,51,1.61,m,
H,52,1.61,m,
H,53,1.72,ddd,"12.4,11.6,7.1"
H,54,1.72,ddd,"12.4,7.7,1.5"
H,55,6.11,d,8.0
H,56,3.93,dt,"7.1,5.4"
H,57,4.04,d,5.4
H,58,4.04,d,5.4
H,59,,,
H,60,3.82,dd,"9.6,7.1"
H,61,,,
H,62,3.96,dd,"9.6,6.2"
H,63,,,
H,64,4.16,dd,"8.0,6.2"
H,65,,,
H,66,1.72,ddd,"12.4,10.8,7.7"
H,67,1.72,ddd,"12.4,8.0,2.1"
H,68,1.61,ddd,"12.4,10.8,8.0"
H,69,1.61,ddd,"12.4,7.7,2.1"
H,70,0.99,s,
H,71,0.99,s,
H,72,0.99,s,
H,73,2.54,dq,"9.1,6.8"
H,74,1.24,d,6.8
H,75,1.24,d,6.8
H,76,1.24,d,6.8
H,77,6.9,d,8.8
H,78,6.16,dd,"8.8,5.6"
H,79,2.83,d,5.6
H,80,1.02,s,
H,81,1.02,s,
H,82,1.02,s,
H,83,1.59,ddd,"12.4,12.1,6.6"
H,84,1.59,ddd,"12.4,8.4,2.2"
H,85,1.52,m,
H,86,1.52,m,
H,87,1.76,dd,"10.2,7.8"
H,88,1.24,s,
H,89,1.24,s,
H,90,1.24,s,
H,91,4.03,s,
H,92,4.03,s,
H,93,,,
H,94,4.13,d,9.3
H,95,,,
H,96,4.14,ddd,"10.1,9.3,5.1"
H,97,,,
H,98,1.88,dd,"12.4,5.1"
H,99,1.88,dd,"12.4,10.1"
H,100,0.82,s,
H,101,0.82,s,
H,102,0.82,s,
