C,1,11.3,s,
C,2,25.7,s,
C,3,34.6,s,
C,4,15.7,s,
C,5,64.2,s,
C,6,171.0,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,17,60.2,s,
C,18,38.3,s,
C,19,24.3,s,
C,20,23.0,s,
C,21,23.0,s,
C,22,170.15,s,
O,23,,,
O,24,,,
C,25,77.6,s,
C,26,29.6,s,
C,27,18.3,s,
C,28,18.3,s,
C,29,171.19,s,
O,30,,,
N,31,,,
C,32,31.45,s,
C,33,64.2,s,
C,34,34.6,s,
C,35,15.7,s,
C,36,25.7,s,
C,37,11.3,s,
C,38,171.0,s,
O,39,,,
O,40,,,
C,41,77.6,s,
C,42,29.6,s,
C,43,18.3,s,
C,44,18.3,s,
C,45,171.19,s,
O,46,,,
N,47,,,
C,48,31.45,s,
H,49,0.77,t,7.0
H,50,0.77,t,7.0
H,51,0.77,t,7.0
H,52,1.25,qd,"7.0,6.0"
H,53,1.25,qd,"7.0,6.0"
H,54,2.03,qtd,"6.5,6.0,5.7"
H,55,0.77,d,6.5
H,56,0.77,d,6.5
H,57,0.77,d,6.5
H,58,4.45,d,5.7
H,59,4.64,d,5.2
H,60,2.29,m,"6.4,5.2"
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,66,0.95,d,6.4
H,67,2.91,s,
H,68,2.91,s,
H,69,2.91,s,
H,70,4.45,t,6.4
H,71,1.87,dd,"6.4,5.9"
H,72,1.87,dd,"6.4,5.9"
H,73,1.67,m,"6.4,5.9"
H,74,0.8,d,6.4
H,75,0.8,d,6.4
H,76,0.8,d,6.4
H,77,0.8,d,6.4
H,78,0.8,d,6.4
H,79,0.8,d,6.4
H,80,4.64,d,5.2
H,81,2.29,m,"6.4,5.2"
H,82,0.95,d,6.4
H,83,0.95,d,6.4
H,84,0.95,d,6.4
H,85,0.95,d,6.4
H,86,0.95,d,6.4
H,87,0.95,d,6.4
H,88,2.91,s,
H,89,2.91,s,
H,90,2.91,s,
H,91,4.45,d,5.7
H,92,2.03,qtd,"6.5,6.0,5.7"
H,93,0.77,d,6.5
H,94,0.77,d,6.5
H,95,0.77,d,6.5
H,96,1.25,qd,"7.0,6.0"
H,97,1.25,qd,"7.0,6.0"
H,98,0.77,t,7.0
H,99,0.77,t,7.0
H,100,0.77,t,7.0
H,101,4.64,d,5.2
H,102,2.29,m,"6.4,5.2"
H,103,0.95,d,6.4
H,104,0.95,d,6.4
H,105,0.95,d,6.4
H,106,0.95,d,6.4
H,107,0.95,d,6.4
H,108,0.95,d,6.4
H,109,2.91,s,
H,110,2.91,s,
H,111,2.91,s,
