C,1,8.66,s,
C,2,29.54,s,
C,3,41.86,s,
C,4,42.24,s,
C,5,92.77,s,
C,6,168.57,s,
O,7,,,
O,8,,,
C,9,51.23,s,
C,10,167.77,s,
N,11,,,
C,12,142.9,s,
C,13,101.61,s,
C,14,156.64,s,
C,15,123.84,s,
C,16,127.72,s,
C,17,134.28,s,
C,18,56.37,s,
C,19,46.0,s,
C,20,50.9,s,
N,21,,,
C,22,55.9,s,
C,23,56.45,s,
O,24,,,
C,25,62.39,s,
C,26,71.28,s,
C,27,68.29,s,
C,28,83.0,s,
O,29,,,
C,30,77.86,s,
O,31,,,
C,32,41.86,s,
C,33,29.54,s,
C,34,8.66,s,
C,35,42.24,s,
C,36,92.77,s,
C,37,168.57,s,
O,38,,,
O,39,,,
C,40,51.23,s,
C,41,167.77,s,
N,42,,,
C,43,133.41,s,
C,44,134.28,s,
C,45,111.52,s,
C,46,152.36,s,
O,47,,,
C,48,137.38,s,
O,49,,,
C,50,60.87,s,
C,51,137.53,s,
O,52,,,
C,53,60.65,s,
C,54,57.5,s,
C,55,46.0,s,
C,56,49.76,s,
N,57,,,
C,58,71.28,s,
H,59,0.68,t,7.1
H,60,0.68,t,7.1
H,61,0.68,t,7.1
H,62,1.13,q,7.1
H,63,1.13,q,7.1
H,64,2.81,s,
H,65,2.81,s,
H,66,3.75,s,
H,67,3.75,s,
H,68,3.75,s,
H,69,,,
H,70,7.09,d,0.5
H,71,7.2,d,0.5
H,72,1.62,ddd,"12.4,9.7,2.1"
H,73,1.62,ddd,"12.4,10.0,9.5"
H,74,2.93,ddd,"9.5,9.4,2.1"
H,75,2.93,ddd,"10.0,9.7,9.4"
H,76,3.69,dd,"12.4,10.7"
H,77,3.69,dd,"12.4,3.2"
H,78,4.52,ddd,"10.7,8.1,3.2"
H,79,3.08,d,8.1
H,80,2.67,s,
H,81,4.4,d,3.5
H,82,5.27,dd,"3.5,1.0"
H,83,4.13,d,1.0
H,84,,,
H,85,1.13,q,7.1
H,86,1.13,q,7.1
H,87,0.68,t,7.1
H,88,0.68,t,7.1
H,89,0.68,t,7.1
H,90,2.81,s,
H,91,2.81,s,
H,92,3.75,s,
H,93,3.75,s,
H,94,3.75,s,
H,95,,,
H,96,6.94,s,
H,97,,,
H,98,3.86,s,
H,99,3.86,s,
H,100,3.86,s,
H,101,3.8,s,
H,102,3.8,s,
H,103,3.8,s,
H,104,1.78,ddd,"12.4,10.4,8.7"
H,105,1.78,ddd,"12.4,10.4,2.8"
H,106,3.34,ddd,"10.4,9.4,2.8"
H,107,3.34,ddd,"10.4,9.4,8.7"
H,108,2.67,s,
