C,1,19.2,s,
C,2,30.61,s,
C,3,29.38,s,
C,4,31.73,s,
C,5,98.53,s,
N,6,,,
C,7,47.94,s,
O,8,,,
C,9,78.73,s,
C,10,32.26,s,
C,11,56.49,s,
C,12,31.6,s,
C,13,32.8,s,
C,14,122.0,s,
C,15,140.68,s,
C,16,38.9,s,
C,17,79.4,s,
O,18,,,
C,19,99.9,s,
O,20,,,
C,21,77.41,s,
C,22,62.57,s,
O,23,,,
C,24,72.07,s,
O,25,,,
C,26,72.09,s,
O,27,,,
C,28,78.67,s,
O,29,,,
C,30,101.9,s,
O,31,,,
C,32,69.42,s,
C,33,18.25,s,
C,34,73.88,s,
O,35,,,
C,36,71.76,s,
O,37,,,
C,38,71.77,s,
O,39,,,
C,40,30.2,s,
C,41,37.49,s,
C,42,37.5,s,
C,43,19.42,s,
C,44,50.8,s,
C,45,21.06,s,
C,46,40.11,s,
C,47,40.79,s,
C,48,16.66,s,
C,49,62.66,s,
C,50,41.73,s,
C,51,15.24,s,
H,52,0.82,d,6.4
H,53,0.82,d,6.4
H,54,0.82,d,6.4
H,55,2.13,m,
H,56,1.58,m,
H,57,1.58,m,
H,58,2.1,ddd,"12.4,10.0,0.5"
H,59,2.1,ddd,"12.4,10.2,8.6"
H,60,,,
H,61,3.21,dd,"12.4,5.3"
H,62,3.21,dd,"12.4,9.8"
H,63,4.88,ddd,"10.0,7.2,3.7"
H,64,2.02,ddd,"12.4,9.8,3.7"
H,65,2.02,ddd,"12.4,10.0,7.9"
H,66,1.1,ddd,"10.4,9.8,7.9"
H,67,1.64,m,
H,68,1.79,ddd,"15.4,13.1,2.6"
H,69,1.79,ddd,"15.4,5.4,2.5"
H,70,5.34,dd,"5.4,2.6"
H,71,2.4,dd,"15.4,2.7"
H,72,2.4,dd,"15.4,10.0"
H,73,3.79,m,
H,74,4.94,d,0.5
H,75,3.84,dt,"9.6,5.4"
H,76,4.04,d,5.4
H,77,4.04,d,5.4
H,78,,,
H,79,4.23,dd,"9.6,1.9"
H,80,,,
H,81,4.21,dd,"3.4,1.9"
H,82,,,
H,83,4.29,dd,"3.4,0.5"
H,84,5.3,d,3.4
H,85,4.01,qd,"6.1,4.8"
H,86,1.27,d,6.1
H,87,1.27,d,6.1
H,88,1.27,d,6.1
H,89,3.91,dd,"4.8,3.4"
H,90,,,
H,91,4.05,dd,"5.0,3.4"
H,92,,,
H,93,4.22,dd,"5.0,3.4"
H,94,,,
H,95,1.94,m,
H,96,1.94,m,
H,97,1.61,ddd,"12.4,6.2,2.5"
H,98,1.61,ddd,"12.8,12.4,6.1"
H,99,0.99,s,
H,100,0.99,s,
H,101,0.99,s,
H,102,0.94,ddd,"10.7,9.6,2.8"
H,103,1.5,m,
H,104,1.5,m,
H,105,1.45,ddd,"12.4,10.6,1.0"
H,106,1.45,ddd,"12.4,10.5,7.3"
H,107,1.04,s,
H,108,1.04,s,
H,109,1.04,s,
H,110,1.86,dd,"7.2,1.5"
H,111,2.83,qd,"6.7,1.5"
H,112,1.03,d,6.7
H,113,1.03,d,6.7
H,114,1.03,d,6.7
