C,1,18.3,s,
C,2,29.6,s,
C,3,18.3,s,
C,4,77.6,s,
O,5,,,
C,6,170.4,s,
O,7,,,
C,8,65.75,s,
C,9,34.34,s,
C,10,128.85,s,
C,11,129.75,s,
C,12,115.9,s,
C,13,156.27,s,
O,14,,,
C,15,115.9,s,
C,16,129.75,s,
N,17,,,
C,18,31.45,s,
C,19,171.19,s,
O,20,,,
C,21,77.6,s,
C,22,29.6,s,
C,23,18.3,s,
C,24,18.3,s,
O,25,,,
C,26,171.0,s,
O,27,,,
C,28,60.44,s,
C,29,27.25,s,
C,30,17.42,s,
C,31,17.42,s,
N,32,,,
C,33,31.45,s,
C,34,171.19,s,
O,35,,,
C,36,77.6,s,
C,37,29.6,s,
C,38,18.3,s,
C,39,18.3,s,
O,40,,,
C,41,171.0,s,
O,42,,,
C,43,60.44,s,
C,44,27.25,s,
C,45,17.42,s,
C,46,17.42,s,
N,47,,,
C,48,31.45,s,
C,49,171.19,s,
O,50,,,
H,51,0.95,d,6.4
H,52,0.95,d,6.4
H,53,0.95,d,6.4
H,54,2.29,m,"6.4,5.2"
H,55,0.95,d,6.4
H,56,0.95,d,6.4
H,57,0.95,d,6.4
H,58,4.64,d,5.2
H,59,5.9,t,6.5
H,60,3.51,d,6.5
H,61,3.51,d,6.5
H,62,7.03,ddd,"9.4,1.9,0.5"
H,63,6.69,ddd,"9.4,1.9,0.5"
H,64,,,
H,65,6.69,ddd,"6.6,1.9,0.5"
H,66,7.03,ddd,"6.6,1.9,0.5"
H,67,2.91,s,
H,68,2.91,s,
H,69,2.91,s,
H,70,4.64,d,5.2
H,71,2.29,m,"6.4,5.2"
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,76,0.95,d,6.4
H,77,0.95,d,6.4
H,78,4.45,d,5.7
H,79,2.14,m,"6.4,5.7"
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,84,1.08,d,6.4
H,85,1.08,d,6.4
H,86,2.91,s,
H,87,2.91,s,
H,88,2.91,s,
H,89,4.64,d,5.2
H,90,2.29,m,"6.4,5.2"
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,95,0.95,d,6.4
H,96,0.95,d,6.4
H,97,4.45,d,5.7
H,98,2.14,m,"6.4,5.7"
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,103,1.08,d,6.4
H,104,1.08,d,6.4
H,105,2.91,s,
H,106,2.91,s,
H,107,2.91,s,
