C,1,51.8,s,
O,2,,,
C,3,168.6,s,
O,4,,,
C,5,109.54,s,
C,6,151.71,s,
O,7,,,
C,8,99.35,s,
O,9,,,
C,10,101.2,s,
O,11,,,
C,12,78.14,s,
C,13,62.29,s,
O,14,,,
C,15,71.15,s,
O,16,,,
C,17,77.8,s,
O,18,,,
C,19,74.56,s,
O,20,,,
C,21,47.65,s,
C,22,32.5,s,
C,23,35.12,s,
C,24,77.06,s,
O,25,,,
C,26,166.77,s,
O,27,,,
C,28,109.54,s,
C,29,151.71,s,
O,30,,,
C,31,99.35,s,
O,32,,,
C,33,101.2,s,
O,34,,,
C,35,78.14,s,
C,36,62.29,s,
O,37,,,
C,38,71.15,s,
O,39,,,
C,40,77.8,s,
O,41,,,
C,42,74.56,s,
O,43,,,
C,44,47.65,s,
C,45,32.5,s,
C,46,42.95,s,
C,47,77.1,s,
O,48,,,
C,49,42.75,s,
C,50,14.7,s,
C,51,42.36,s,
C,52,15.05,s,
H,53,3.72,s,
H,54,3.72,s,
H,55,3.72,s,
H,56,7.5,s,
H,57,5.33,d,6.2
H,58,4.66,d,1.1
H,59,3.26,dt,"7.7,5.4"
H,60,4.04,d,5.4
H,61,4.04,d,5.4
H,62,,,
H,63,3.66,dd,"7.7,5.1"
H,64,,,
H,65,3.32,dd,"8.1,5.1"
H,66,,,
H,67,3.23,dd,"8.1,1.1"
H,68,,,
H,69,2.1,ddd,"10.1,8.9,6.2"
H,70,3.06,ddd,"10.1,10.0,9.6"
H,71,1.88,ddd,"12.4,9.6,1.2"
H,72,1.88,ddd,"12.4,10.0,7.2"
H,73,4.88,ddd,"7.2,1.2,0.7"
H,74,7.5,s,
H,75,5.33,d,8.7
H,76,4.66,d,7.2
H,77,3.26,dt,"8.7,5.4"
H,78,4.04,d,5.4
H,79,4.04,d,5.4
H,80,,,
H,81,3.66,dd,"8.7,1.3"
H,82,,,
H,83,3.32,dd,"1.3,0.4"
H,84,,,
H,85,3.23,dd,"7.2,0.4"
H,86,,,
H,87,2.1,ddd,"11.7,8.7,7.2"
H,88,3.06,ddd,"12.6,11.7,5.2"
H,89,1.98,ddd,"12.6,12.4,5.3"
H,90,1.98,ddd,"12.4,5.2,0.7"
H,91,4.15,ddd,"8.5,5.3,0.7"
H,92,,,
H,93,1.9,ddq,"8.5,7.2,6.6"
H,94,1.06,d,6.6
H,95,1.06,d,6.6
H,96,1.06,d,6.6
H,97,2.01,dqd,"8.9,6.6,0.7"
H,98,0.99,d,6.6
H,99,0.99,d,6.6
H,100,0.99,d,6.6
