C,1,11.37,s,
C,2,25.54,s,
C,3,36.86,s,
C,4,14.9,s,
C,5,79.53,s,
O,6,,,
C,7,171.0,s,
O,8,,,
C,9,60.44,s,
C,10,27.25,s,
C,11,17.42,s,
C,12,17.42,s,
N,13,,,
C,14,31.45,s,
C,15,171.19,s,
O,16,,,
C,17,77.6,s,
C,18,29.6,s,
C,19,18.3,s,
C,20,18.3,s,
O,21,,,
C,22,171.0,s,
O,23,,,
C,24,60.44,s,
C,25,27.25,s,
C,26,17.42,s,
C,27,17.42,s,
N,28,,,
C,29,31.45,s,
C,30,171.19,s,
O,31,,,
C,32,77.6,s,
C,33,29.6,s,
C,34,18.3,s,
C,35,18.3,s,
O,36,,,
C,37,171.0,s,
O,38,,,
C,39,60.44,s,
C,40,27.25,s,
C,41,17.42,s,
C,42,17.42,s,
N,43,,,
C,44,31.45,s,
C,45,171.19,s,
O,46,,,
H,47,0.83,t,7.0
H,48,0.83,t,7.0
H,49,0.83,t,7.0
H,50,1.32,qd,"7.0,6.0"
H,51,1.32,qd,"7.0,6.0"
H,52,2.17,qtd,"6.5,6.0,5.3"
H,53,1.03,d,6.5
H,54,1.03,d,6.5
H,55,1.03,d,6.5
H,56,4.64,d,5.3
H,57,4.45,d,5.7
H,58,2.14,m,"6.4,5.7"
H,59,1.08,d,6.4
H,60,1.08,d,6.4
H,61,1.08,d,6.4
H,62,1.08,d,6.4
H,63,1.08,d,6.4
H,64,1.08,d,6.4
H,65,2.91,s,
H,66,2.91,s,
H,67,2.91,s,
H,68,4.64,d,5.2
H,69,2.29,m,"6.4,5.2"
H,70,0.95,d,6.4
H,71,0.95,d,6.4
H,72,0.95,d,6.4
H,73,0.95,d,6.4
H,74,0.95,d,6.4
H,75,0.95,d,6.4
H,76,4.45,d,5.7
H,77,2.14,m,"6.4,5.7"
H,78,1.08,d,6.4
H,79,1.08,d,6.4
H,80,1.08,d,6.4
H,81,1.08,d,6.4
H,82,1.08,d,6.4
H,83,1.08,d,6.4
H,84,2.91,s,
H,85,2.91,s,
H,86,2.91,s,
H,87,4.64,d,5.2
H,88,2.29,m,"6.4,5.2"
H,89,0.95,d,6.4
H,90,0.95,d,6.4
H,91,0.95,d,6.4
H,92,0.95,d,6.4
H,93,0.95,d,6.4
H,94,0.95,d,6.4
H,95,4.45,d,5.7
H,96,2.14,m,"6.4,5.7"
H,97,1.08,d,6.4
H,98,1.08,d,6.4
H,99,1.08,d,6.4
H,100,1.08,d,6.4
H,101,1.08,d,6.4
H,102,1.08,d,6.4
H,103,2.91,s,
H,104,2.91,s,
H,105,2.91,s,
