C,1,17.42,s,
C,2,27.25,s,
C,3,17.42,s,
C,4,60.44,s,
C,5,171.0,s,
O,6,,,
O,7,,,
C,8,77.6,s,
C,9,29.6,s,
C,10,18.3,s,
C,11,18.3,s,
C,12,171.19,s,
O,13,,,
N,14,,,
C,15,31.45,s,
C,16,60.44,s,
C,17,27.25,s,
C,18,17.42,s,
C,19,17.42,s,
C,20,171.0,s,
O,21,,,
O,22,,,
C,23,77.6,s,
C,24,29.6,s,
C,25,18.3,s,
C,26,18.3,s,
C,27,171.19,s,
O,28,,,
N,29,,,
C,30,31.45,s,
C,31,65.75,s,
C,32,34.34,s,
C,33,128.85,s,
C,34,129.75,s,
C,35,115.9,s,
C,36,156.27,s,
O,37,,,
C,38,115.9,s,
C,39,129.75,s,
C,40,170.4,s,
O,41,,,
O,42,,,
C,43,77.6,s,
C,44,29.6,s,
C,45,18.3,s,
C,46,18.3,s,
C,47,171.19,s,
O,48,,,
N,49,,,
C,50,31.45,s,
H,51,1.08,d,6.4
H,52,1.08,d,6.4
H,53,1.08,d,6.4
H,54,2.14,m,"6.4,5.7"
H,55,1.08,d,6.4
H,56,1.08,d,6.4
H,57,1.08,d,6.4
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,d,5.7
H,71,2.14,m,"6.4,5.7"
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,77,1.08,d,6.4
H,78,4.64,d,5.2
H,79,2.29,m,"6.4,5.2"
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,85,0.95,d,6.4
H,86,2.91,s,
H,87,2.91,s,
H,88,2.91,s,
H,89,5.9,t,6.5
H,90,3.51,d,6.5
H,91,3.51,d,6.5
H,92,7.03,ddd,"9.4,1.9,0.5"
H,93,6.69,ddd,"9.4,1.9,0.5"
H,94,,,
H,95,6.69,ddd,"8.1,1.9,0.5"
H,96,7.03,ddd,"8.1,1.9,0.5"
H,97,4.64,d,5.2
H,98,2.29,m,"6.4,5.2"
H,99,0.95,d,6.4
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,105,2.91,s,
H,106,2.91,s,
H,107,2.91,s,
