C,1,22.54,s,
C,2,28.03,s,
C,3,22.54,s,
C,4,34.62,s,
C,5,33.5,s,
C,6,71.11,s,
O,7,,,
C,8,42.36,s,
C,9,15.05,s,
C,10,54.73,s,
C,11,77.06,s,
O,12,,,
C,13,103.29,s,
O,14,,,
C,15,77.41,s,
C,16,62.57,s,
O,17,,,
C,18,72.07,s,
O,19,,,
C,20,78.08,s,
O,21,,,
C,22,78.67,s,
O,23,,,
C,24,101.9,s,
O,25,,,
C,26,69.42,s,
C,27,18.25,s,
C,28,73.88,s,
O,29,,,
C,30,71.76,s,
O,31,,,
C,32,71.77,s,
O,33,,,
C,34,32.57,s,
C,35,55.1,s,
C,36,37.2,s,
C,37,30.8,s,
C,38,32.53,s,
C,39,170.32,s,
C,40,123.93,s,
C,41,198.49,s,
O,42,,,
C,43,33.28,s,
C,44,35.66,s,
C,45,38.59,s,
C,46,17.15,s,
C,47,54.25,s,
C,48,20.83,s,
C,49,40.01,s,
C,50,40.8,s,
C,51,16.19,s,
H,52,0.88,d,6.4
H,53,0.88,d,6.4
H,54,0.88,d,6.4
H,55,1.5,m,"6.4,5.9"
H,56,0.88,d,6.4
H,57,0.88,d,6.4
H,58,0.88,d,6.4
H,59,1.22,td,"6.7,5.9"
H,60,1.22,td,"6.7,5.9"
H,61,1.8,td,"6.7,5.7"
H,62,1.8,td,"6.7,5.7"
H,63,4.19,td,"5.7,5.0"
H,64,,,
H,65,2.01,qdd,"6.6,5.7,5.0"
H,66,0.99,d,6.6
H,67,0.99,d,6.6
H,68,0.99,d,6.6
H,69,1.86,dd,"7.8,5.7"
H,70,4.88,ddd,"9.8,8.0,7.8"
H,71,5.14,d,6.0
H,72,3.84,dt,"8.0,5.4"
H,73,4.04,d,5.4
H,74,4.04,d,5.4
H,75,,,
H,76,4.23,dd,"8.0,3.0"
H,77,,,
H,78,4.2,dd,"3.0,0.9"
H,79,,,
H,80,4.29,dd,"6.0,0.9"
H,81,5.3,d,8.4
H,82,4.01,qd,"6.1,4.5"
H,83,1.27,d,6.1
H,84,1.27,d,6.1
H,85,1.27,d,6.1
H,86,3.91,dd,"4.5,3.4"
H,87,,,
H,88,4.05,dd,"3.4,1.0"
H,89,,,
H,90,4.22,dd,"8.4,1.0"
H,91,,,
H,92,2.02,ddd,"12.4,10.9,9.8"
H,93,2.02,ddd,"12.4,8.0,2.5"
H,94,1.04,ddd,"10.9,5.1,2.5"
H,95,1.86,m,
H,96,1.58,m,
H,97,1.58,m,
H,98,2.33,ddd,"15.4,5.5,2.9"
H,99,2.33,ddd,"15.4,13.7,5.4"
H,100,5.7,s,
H,101,2.39,ddd,"15.4,12.0,0.6"
H,102,2.39,ddd,"15.4,5.5,2.0"
H,103,1.87,ddd,"12.4,5.5,0.6"
H,104,1.87,ddd,"12.4,12.0,2.0"
H,105,1.15,s,
H,106,1.15,s,
H,107,1.15,s,
H,108,0.93,ddd,"12.1,8.6,6.6"
H,109,1.48,m,
H,110,1.48,m,
H,111,1.48,ddd,"12.8,12.4,4.2"
H,112,1.48,ddd,"12.4,3.2,3.1"
H,113,0.8,s,
H,114,0.8,s,
H,115,0.8,s,
