C,1,12.72,s,
C,2,118.86,s,
C,3,140.39,s,
C,4,52.94,s,
N,5,,,
C,6,49.76,s,
C,7,29.33,s,
C,8,40.4,s,
C,9,137.03,s,
C,10,124.74,s,
C,11,123.18,s,
C,12,131.17,s,
C,13,116.11,s,
C,14,142.35,s,
N,15,,,
C,16,60.44,s,
C,17,171.4,s,
O,18,,,
O,19,,,
C,20,51.92,s,
C,21,40.4,s,
C,22,24.51,s,
C,23,71.45,s,
C,24,61.74,s,
C,25,121.6,s,
C,26,127.72,s,
C,27,134.28,s,
C,28,142.35,s,
C,29,93.1,s,
C,30,156.64,s,
O,31,,,
C,32,55.91,s,
N,33,,,
C,34,35.85,s,
C,35,57.53,s,
C,36,56.75,s,
C,37,35.12,s,
C,38,31.9,s,
C,39,146.35,s,
C,40,121.02,s,
C,41,12.97,s,
C,42,52.94,s,
N,43,,,
C,44,51.91,s,
C,45,38.94,s,
C,46,41.86,s,
C,47,51.6,s,
C,48,171.4,s,
O,49,,,
O,50,,,
C,51,51.9,s,
H,52,1.79,d,7.0
H,53,1.79,d,7.0
H,54,1.79,d,7.0
H,55,5.45,q,7.0
H,56,3.31,s,
H,57,3.31,s,
H,58,2.8,ddd,"13.0,12.4,5.2"
H,59,2.8,ddd,"12.4,7.5,1.2"
H,60,1.8,m,
H,61,1.8,m,
H,62,2.83,dd,"9.4,9.0"
H,63,7.23,ddd,"7.4,1.4,0.5"
H,64,6.88,ddd,"7.4,6.0,1.4"
H,65,7.43,ddd,"9.1,6.0,1.4"
H,66,7.32,ddd,"9.1,1.4,0.5"
H,67,4.45,d,2.6
H,68,3.65,s,
H,69,3.65,s,
H,70,3.65,s,
H,71,3.58,ddd,"4.1,2.6,2.5"
H,72,2.11,ddd,"12.4,4.1,0.4"
H,73,2.11,ddd,"12.4,6.5,2.5"
H,74,4.28,dd,"6.5,0.4"
H,75,7.2,d,0.5
H,76,7.09,d,0.5
H,77,3.84,s,
H,78,3.84,s,
H,79,3.84,s,
H,80,3.18,s,
H,81,3.18,s,
H,82,3.18,s,
H,83,4.28,d,4.2
H,84,2.3,dd,"4.6,4.2"
H,85,2.05,ddd,"12.4,4.6,2.7"
H,86,2.05,dd,"12.4,5.4"
H,87,3.69,ddd,"9.9,5.4,2.7"
H,88,5.49,q,7.0
H,89,1.65,d,7.0
H,90,1.65,d,7.0
H,91,1.65,d,7.0
H,92,3.31,s,
H,93,3.31,s,
H,94,2.64,ddd,"12.4,11.1,3.0"
H,95,2.64,ddd,"12.4,11.1,6.0"
H,96,2.18,ddd,"12.4,11.1,6.0"
H,97,2.18,ddd,"12.4,11.1,3.0"
H,98,3.08,d,9.9
H,99,3.7,s,
H,100,3.7,s,
H,101,3.7,s,
