C,1,17.8,s,
C,2,129.35,s,
C,3,129.1,s,
C,4,76.0,s,
O,5,,,
C,6,41.5,s,
C,7,18.77,s,
C,8,18.77,s,
C,9,77.7,s,
C,10,27.8,s,
C,11,129.3,s,
C,12,126.3,s,
C,13,125.2,s,
C,14,128.4,s,
C,15,128.4,s,
C,16,132.9,s,
C,17,78.8,s,
O,18,,,
C,19,56.4,s,
C,20,34.9,s,
C,21,162.2,s,
N,22,,,
C,23,132.9,s,
C,24,144.1,s,
O,25,,,
C,26,161.3,s,
O,27,,,
O,28,,,
C,29,77.7,s,
C,30,41.5,s,
C,31,18.77,s,
C,32,18.77,s,
C,33,76.0,s,
O,34,,,
C,35,129.1,s,
C,36,129.35,s,
C,37,17.8,s,
C,38,27.8,s,
C,39,129.3,s,
C,40,126.3,s,
C,41,131.72,s,
C,42,132.48,s,
C,43,131.65,s,
C,44,131.94,s,
C,45,132.45,s,
C,46,118.64,s,
C,47,161.5,s,
N,48,,,
C,49,133.4,s,
C,50,143.2,s,
O,51,,,
C,52,161.1,s,
O,53,,,
O,54,,,
H,55,1.64,d,7.0
H,56,1.64,d,7.0
H,57,1.64,d,7.0
H,58,5.4,dq,"15.0,7.0"
H,59,5.4,dd,"15.0,7.0"
H,60,3.79,d,7.0
H,61,,,
H,62,0.89,s,
H,63,0.89,s,
H,64,0.89,s,
H,65,0.89,s,
H,66,0.89,s,
H,67,0.89,s,
H,68,5.3,dd,"8.9,1.0"
H,69,2.52,ddd,"15.4,8.9,5.3"
H,70,2.52,ddd,"15.4,6.6,1.0"
H,71,5.4,dd,"6.6,5.3"
H,72,6.41,d,3.9
H,73,6.24,d,3.9
H,74,5.94,d,3.9
H,75,6.52,d,3.9
H,76,5.4,d,5.6
H,77,3.97,ddd,"9.4,7.4,5.6"
H,78,3.15,s,
H,79,3.15,s,
H,80,3.15,s,
H,81,2.95,dd,"15.4,7.4"
H,82,2.95,dd,"15.4,9.4"
H,83,8.1,s,
H,84,5.3,dd,"11.9,1.6"
H,85,0.89,s,
H,86,0.89,s,
H,87,0.89,s,
H,88,0.89,s,
H,89,0.89,s,
H,90,0.89,s,
H,91,3.79,d,7.0
H,92,,,
H,93,5.4,dd,"15.0,7.0"
H,94,5.4,dq,"15.0,7.0"
H,95,1.64,d,7.0
H,96,1.64,d,7.0
H,97,1.64,d,7.0
H,98,2.52,ddd,"15.4,11.9,4.5"
H,99,2.52,ddd,"15.4,4.3,1.6"
H,100,5.4,dd,"4.5,4.3"
H,101,6.41,d,3.9
H,102,6.24,d,3.9
H,103,6.56,s,
H,104,6.56,s,
H,105,6.56,d,2.8
H,106,6.57,d,2.8
H,107,6.13,s,
H,108,7.99,s,
