C,1,55.4,s,
O,2,,,
C,3,162.0,s,
O,4,,,
C,5,171.99,s,
C,6,73.63,s,
O,7,,,
C,8,44.46,s,
C,9,140.22,s,
C,10,19.64,s,
C,11,122.9,s,
C,12,143.2,s,
C,13,27.5,s,
C,14,133.0,s,
C,15,143.2,s,
C,16,27.5,s,
C,17,133.0,s,
C,18,139.65,s,
C,19,16.68,s,
C,20,140.8,s,
C,21,131.71,s,
C,22,131.25,s,
C,23,124.0,s,
C,24,147.0,s,
N,25,,,
O,26,,,
O,27,,,
C,28,124.0,s,
C,29,131.25,s,
C,30,116.47,s,
C,31,8.72,s,
C,32,180.1,s,
O,33,,,
C,34,101.7,s,
C,35,7.2,s,
H,36,4.1,s,
H,37,4.1,s,
H,38,4.1,s,
H,39,4.52,t,6.0
H,40,,,
H,41,2.63,d,6.0
H,42,2.63,d,6.0
H,43,1.75,s,
H,44,1.75,s,
H,45,1.75,s,
H,46,5.82,s,
H,47,1.99,s,
H,48,1.99,s,
H,49,1.99,s,
H,50,6.11,s,
H,51,1.99,s,
H,52,1.99,s,
H,53,1.99,s,
H,54,6.11,s,
H,55,1.99,s,
H,56,1.99,s,
H,57,1.99,s,
H,58,7.55,s,
H,59,7.71,ddd,"6.4,1.9,0.5"
H,60,8.16,ddd,"6.4,2.4,0.5"
H,61,8.16,ddd,"9.0,2.4,0.5"
H,62,7.71,ddd,"9.0,1.9,0.5"
H,63,1.91,s,
H,64,1.91,s,
H,65,1.91,s,
H,66,1.92,s,
H,67,1.92,s,
H,68,1.92,s,
