C,1,12.97,s,
C,2,121.02,s,
C,3,146.35,s,
C,4,52.94,s,
N,5,,,
C,6,51.91,s,
C,7,38.94,s,
C,8,41.86,s,
C,9,134.28,s,
C,10,111.52,s,
C,11,156.64,s,
C,12,134.95,s,
C,13,117.11,s,
C,14,142.35,s,
N,15,,,
C,16,35.85,s,
C,17,57.53,s,
C,18,56.75,s,
C,19,35.12,s,
C,20,31.9,s,
C,21,51.6,s,
C,22,171.4,s,
O,23,,,
O,24,,,
C,25,51.9,s,
C,26,41.86,s,
C,27,38.94,s,
C,28,51.91,s,
N,29,,,
C,30,52.94,s,
C,31,140.39,s,
C,32,118.86,s,
C,33,12.72,s,
C,34,40.4,s,
C,35,24.51,s,
C,36,52.0,s,
C,37,92.26,s,
O,38,,,
N,39,,,
C,40,142.35,s,
C,41,116.11,s,
C,42,131.17,s,
C,43,122.44,s,
C,44,124.58,s,
C,45,134.28,s,
C,46,60.44,s,
C,47,171.4,s,
O,48,,,
O,49,,,
C,50,51.92,s,
H,51,1.65,d,7.0
H,52,1.65,d,7.0
H,53,1.65,d,7.0
H,54,5.49,q,7.0
H,55,3.31,s,
H,56,3.31,s,
H,57,2.64,ddd,"12.4,11.3,3.1"
H,58,2.64,ddd,"17.4,12.4,9.2"
H,59,2.18,ddd,"17.4,12.4,11.3"
H,60,2.18,ddd,"12.4,9.2,3.1"
H,61,6.94,d,0.5
H,62,7.51,d,0.5
H,63,3.18,s,
H,64,3.18,s,
H,65,3.18,s,
H,66,4.28,d,17.0
H,67,2.3,ddd,"17.7,17.0,10.1"
H,68,2.05,ddd,"13.1,12.4,10.1"
H,69,2.05,ddd,"17.7,12.4,5.6"
H,70,3.69,ddd,"13.1,5.6,5.3"
H,71,3.08,d,5.3
H,72,3.7,s,
H,73,3.7,s,
H,74,3.7,s,
H,75,2.18,ddd,"12.4,7.7,3.1"
H,76,2.18,ddd,"14.5,12.4,9.9"
H,77,2.64,ddd,"14.5,12.4,7.7"
H,78,2.64,ddd,"12.4,9.9,3.1"
H,79,3.31,s,
H,80,3.31,s,
H,81,5.45,q,7.0
H,82,1.79,d,7.0
H,83,1.79,d,7.0
H,84,1.79,d,7.0
H,85,3.58,ddd,"13.1,5.6,0.5"
H,86,2.11,ddd,"17.1,12.4,5.6"
H,87,2.11,ddd,"13.1,12.4,9.6"
H,88,4.28,dd,"17.1,9.6"
H,89,7.32,ddd,"10.4,1.4,0.5"
H,90,7.43,ddd,"10.4,7.5,1.4"
H,91,6.94,td,"7.5,1.4"
H,92,7.25,ddd,"7.5,1.4,0.5"
H,93,4.45,d,0.5
H,94,3.65,s,
H,95,3.65,s,
H,96,3.65,s,
