C,1,17.93,s,
C,2,69.19,s,
O,3,,,
C,4,100.26,s,
O,5,,,
C,6,99.8,s,
O,7,,,
C,8,75.22,s,
C,9,62.29,s,
O,10,,,
C,11,70.63,s,
O,12,,,
C,13,75.25,s,
O,14,,,
C,15,73.18,s,
O,16,,,
C,17,73.89,s,
O,18,,,
C,19,71.02,s,
O,20,,,
C,21,77.15,s,
O,22,,,
C,23,74.63,s,
C,24,29.35,s,
C,25,37.28,s,
C,26,36.88,s,
C,27,19.42,s,
C,28,140.22,s,
C,29,122.3,s,
C,30,32.8,s,
C,31,31.6,s,
C,32,56.49,s,
C,33,32.26,s,
C,34,78.73,s,
O,35,,,
C,36,98.53,s,
C,37,31.73,s,
C,38,29.38,s,
C,39,30.61,s,
C,40,19.2,s,
C,41,47.94,s,
N,42,,,
C,43,41.73,s,
C,44,15.24,s,
C,45,62.66,s,
C,46,40.79,s,
C,47,16.66,s,
C,48,40.11,s,
C,49,21.06,s,
C,50,50.8,s,
C,51,38.83,s,
H,52,1.32,d,6.1
H,53,1.32,d,6.1
H,54,1.32,d,6.1
H,55,3.83,qd,"6.1,1.7"
H,56,4.67,d,1.3
H,57,4.67,d,6.2
H,58,3.26,td,"5.4,1.4"
H,59,4.04,d,5.4
H,60,4.04,d,5.4
H,61,,,
H,62,3.99,dd,"4.0,1.4"
H,63,,,
H,64,3.32,dd,"4.0,0.3"
H,65,,,
H,66,3.23,dd,"6.2,0.3"
H,67,,,
H,68,3.81,dd,"7.9,1.3"
H,69,,,
H,70,3.91,dd,"7.9,0.8"
H,71,,,
H,72,4.7,dd,"1.7,0.8"
H,73,4.73,m,
H,74,1.94,m,
H,75,1.94,m,
H,76,1.61,ddd,"12.4,5.5,1.8"
H,77,1.61,ddd,"13.2,12.4,1.4"
H,78,0.99,s,
H,79,0.99,s,
H,80,0.99,s,
H,81,5.34,dd,"4.5,3.2"
H,82,1.79,ddd,"15.4,7.4,4.5"
H,83,1.79,ddd,"15.4,10.0,3.2"
H,84,1.64,m,
H,85,1.1,ddd,"12.7,11.3,3.8"
H,86,2.02,ddd,"12.7,12.4,10.0"
H,87,2.02,ddd,"12.4,7.6,3.8"
H,88,4.88,ddd,"10.0,9.0,7.6"
H,89,2.1,ddd,"12.4,4.8,3.4"
H,90,2.1,ddd,"13.7,12.4,2.1"
H,91,1.58,m,
H,92,1.58,m,
H,93,2.13,m,"9.7,6.4,5.5,1.9"
H,94,0.82,d,6.4
H,95,0.82,d,6.4
H,96,0.82,d,6.4
H,97,3.21,dd,"12.4,1.9"
H,98,3.21,dd,"12.4,5.5"
H,99,,,
H,100,2.83,qd,"6.7,4.2"
H,101,1.03,d,6.7
H,102,1.03,d,6.7
H,103,1.03,d,6.7
H,104,1.86,dd,"9.0,4.2"
H,105,1.04,s,
H,106,1.04,s,
H,107,1.04,s,
H,108,1.45,ddd,"13.3,12.4,5.4"
H,109,1.45,ddd,"12.4,4.3,3.7"
H,110,1.5,m,
H,111,1.5,m,
H,112,0.94,ddd,"12.2,11.6,4.5"
H,113,2.39,dd,"15.4,3.9"
H,114,2.39,dd,"15.4,12.5"
