C,1,18.25,s,
C,2,69.74,s,
O,3,,,
C,4,102.83,s,
O,5,,,
C,6,80.5,s,
C,7,38.4,s,
C,8,99.8,s,
O,9,,,
C,10,79.9,s,
C,11,41.0,s,
C,12,34.74,s,
C,13,56.32,s,
C,14,32.57,s,
C,15,77.06,s,
O,16,,,
C,17,177.88,s,
O,18,,,
C,19,40.64,s,
C,20,13.34,s,
C,21,54.73,s,
C,22,37.67,s,
C,23,16.8,s,
C,24,41.6,s,
C,25,20.87,s,
C,26,49.21,s,
C,27,37.3,s,
C,28,17.01,s,
C,29,37.93,s,
C,30,31.14,s,
C,31,71.58,s,
O,32,,,
C,33,34.17,s,
C,34,49.79,s,
O,35,,,
C,36,73.5,s,
C,37,19.15,s,
C,38,76.0,s,
O,39,,,
C,40,73.99,s,
O,41,,,
C,42,72.26,s,
O,43,,,
C,44,72.83,s,
O,45,,,
H,46,1.27,d,6.1
H,47,1.27,d,6.1
H,48,1.27,d,6.1
H,49,4.01,qd,"6.1,2.7"
H,50,5.09,d,2.4
H,51,4.61,ddd,"8.2,2.7,1.5"
H,52,1.97,ddd,"12.4,8.2,4.7"
H,53,1.97,ddd,"12.4,9.8,1.5"
H,54,4.95,dd,"9.8,4.7"
H,55,4.88,ddd,"7.7,5.1,0.7"
H,56,1.88,ddd,"12.4,1.7,0.7"
H,57,1.88,ddd,"12.4,10.6,7.7"
H,58,1.39,m,
H,59,1.21,ddd,"11.2,10.5,5.5"
H,60,2.02,ddd,"12.4,9.8,5.5"
H,61,2.02,ddd,"12.4,11.2,3.9"
H,62,4.88,ddd,"9.8,6.7,3.9"
H,63,2.63,qd,"6.7,1.4"
H,64,1.25,d,6.7
H,65,1.25,d,6.7
H,66,1.25,d,6.7
H,67,1.86,dd,"6.7,1.4"
H,68,1.15,s,
H,69,1.15,s,
H,70,1.15,s,
H,71,1.72,ddd,"12.4,7.7,2.2"
H,72,1.72,ddd,"12.4,11.2,7.9"
H,73,1.38,m,
H,74,1.38,m,
H,75,0.9,ddd,"12.1,11.1,3.9"
H,76,0.91,s,
H,77,0.91,s,
H,78,0.91,s,
H,79,1.5,ddd,"12.4,7.6,2.5"
H,80,1.5,ddd,"12.4,11.9,6.2"
H,81,1.64,m,
H,82,1.64,m,
H,83,3.73,m,
H,84,,,
H,85,1.88,ddd,"12.4,8.6,4.8"
H,86,1.88,ddd,"12.4,12.0,6.9"
H,87,2.12,ddd,"12.0,5.1,4.8"
H,88,3.86,qd,"6.1,1.9"
H,89,1.32,d,6.1
H,90,1.32,d,6.1
H,91,1.32,d,6.1
H,92,3.9,dd,"2.7,1.9"
H,93,,,
H,94,3.79,dd,"2.4,1.1"
H,95,,,
H,96,4.05,dd,"8.3,1.1"
H,97,,,
H,98,3.51,dd,"8.3,2.7"
H,99,,,
