C,1,57.81,s,
O,2,,,
C,3,78.37,s,
C,4,56.51,s,
N,5,,,
C,6,100.22,s,
O,7,,,
C,8,83.16,s,
C,9,133.32,s,
C,10,130.27,s,
C,11,131.19,s,
C,12,139.99,s,
C,13,137.52,s,
C,14,12.93,s,
C,15,136.6,s,
C,16,125.79,s,
C,17,139.99,s,
C,18,134.95,s,
C,19,17.26,s,
C,20,126.29,s,
C,21,34.37,s,
C,22,47.69,s,
C,23,17.36,s,
N,24,,,
C,25,164.9,s,
O,26,,,
C,27,132.07,s,
C,28,33.14,s,
C,29,27.36,s,
C,30,22.54,s,
C,31,22.54,s,
C,32,133.0,s,
C,33,131.93,s,
C,34,16.68,s,
C,35,134.26,s,
C,36,126.4,s,
C,37,131.94,s,
C,38,130.4,s,
C,39,135.73,s,
C,40,74.1,s,
C,41,23.2,s,
O,42,,,
O,43,,,
C,44,66.08,s,
C,45,71.22,s,
O,46,,,
H,47,3.42,s,
H,48,3.42,s,
H,49,3.42,s,
H,50,4.91,dd,"6.9,1.9"
H,51,3.23,dd,"1.9,1.7"
H,52,,,
H,53,,,
H,54,5.07,d,1.7
H,55,5.13,d,6.6
H,56,6.14,dd,"12.0,6.6"
H,57,6.99,dd,"12.0,3.2"
H,58,6.55,dd,"13.0,3.2"
H,59,6.46,d,13.0
H,60,2.0,s,
H,61,2.0,s,
H,62,2.0,s,
H,63,6.27,d,6.6
H,64,6.7,d,6.6
H,65,6.46,s,
H,66,1.99,s,
H,67,1.99,s,
H,68,1.99,s,
H,69,5.54,dd,"5.3,3.1"
H,70,2.46,ddd,"15.4,5.3,3.9"
H,71,2.46,ddd,"15.4,13.1,3.1"
H,72,4.28,dqd,"13.1,6.2,3.9"
H,73,1.29,d,6.2
H,74,1.29,d,6.2
H,75,1.29,d,6.2
H,76,,,
H,77,2.44,d,6.1
H,78,2.44,d,6.1
H,79,1.76,m,"6.4,6.1"
H,80,0.87,d,6.4
H,81,0.87,d,6.4
H,82,0.87,d,6.4
H,83,0.87,d,6.4
H,84,0.87,d,6.4
H,85,0.87,d,6.4
H,86,7.39,s,
H,87,1.99,s,
H,88,1.99,s,
H,89,1.99,s,
H,90,6.28,d,5.9
H,91,6.49,dd,"14.8,5.9"
H,92,6.56,dd,"14.8,8.9"
H,93,6.87,dd,"12.0,8.9"
H,94,5.99,d,12.0
H,95,1.4,s,
H,96,1.4,s,
H,97,1.4,s,
H,98,,,
H,99,4.13,dd,"9.4,1.7"
H,100,4.13,dd,"9.4,7.7"
H,101,3.9,ddd,"7.7,6.9,1.7"
H,102,,,
