C,1,23.0,s,
C,2,24.3,s,
C,3,23.0,s,
C,4,38.3,s,
C,5,60.2,s,
C,6,170.15,s,
O,7,,,
O,8,,,
C,9,77.6,s,
C,10,29.6,s,
C,11,18.3,s,
C,12,18.3,s,
C,13,171.19,s,
O,14,,,
N,15,,,
C,16,31.45,s,
C,17,60.44,s,
C,18,27.25,s,
C,19,17.42,s,
C,20,17.42,s,
C,21,171.0,s,
O,22,,,
O,23,,,
C,24,77.6,s,
C,25,29.6,s,
C,26,18.3,s,
C,27,18.3,s,
C,28,171.19,s,
O,29,,,
N,30,,,
C,31,31.45,s,
C,32,60.2,s,
C,33,38.3,s,
C,34,24.3,s,
C,35,23.0,s,
C,36,23.0,s,
C,37,170.15,s,
O,38,,,
O,39,,,
C,40,77.6,s,
C,41,29.6,s,
C,42,18.3,s,
C,43,18.3,s,
C,44,171.19,s,
O,45,,,
N,46,,,
C,47,31.45,s,
H,48,0.8,d,6.4
H,49,0.8,d,6.4
H,50,0.8,d,6.4
H,51,1.67,m,"6.4,5.9"
H,52,0.8,d,6.4
H,53,0.8,d,6.4
H,54,0.8,d,6.4
H,55,1.87,dd,"6.4,5.9"
H,56,1.87,dd,"6.4,5.9"
H,57,4.45,t,6.4
H,58,4.64,d,5.2
H,59,2.29,m,"6.4,5.2"
H,60,0.95,d,6.4
H,61,0.95,d,6.4
H,62,0.95,d,6.4
H,63,0.95,d,6.4
H,64,0.95,d,6.4
H,65,0.95,d,6.4
H,66,2.91,s,
H,67,2.91,s,
H,68,2.91,s,
H,69,4.45,d,5.7
H,70,2.14,m,"6.4,5.7"
H,71,1.08,d,6.4
H,72,1.08,d,6.4
H,73,1.08,d,6.4
H,74,1.08,d,6.4
H,75,1.08,d,6.4
H,76,1.08,d,6.4
H,77,4.64,d,5.2
H,78,2.29,m,"6.4,5.2"
H,79,0.95,d,6.4
H,80,0.95,d,6.4
H,81,0.95,d,6.4
H,82,0.95,d,6.4
H,83,0.95,d,6.4
H,84,0.95,d,6.4
H,85,2.91,s,
H,86,2.91,s,
H,87,2.91,s,
H,88,4.45,t,6.4
H,89,1.87,dd,"6.4,5.9"
H,90,1.87,dd,"6.4,5.9"
H,91,1.67,m,"6.4,5.9"
H,92,0.8,d,6.4
H,93,0.8,d,6.4
H,94,0.8,d,6.4
H,95,0.8,d,6.4
H,96,0.8,d,6.4
H,97,0.8,d,6.4
H,98,4.64,d,5.2
H,99,2.29,m,"6.4,5.2"
H,100,0.95,d,6.4
H,101,0.95,d,6.4
H,102,0.95,d,6.4
H,103,0.95,d,6.4
H,104,0.95,d,6.4
H,105,0.95,d,6.4
H,106,2.91,s,
H,107,2.91,s,
H,108,2.91,s,
