C,1,56.0,s,
O,2,,,
C,3,150.0,s,
C,4,111.61,s,
C,5,121.77,s,
C,6,133.13,s,
C,7,110.67,s,
C,8,147.0,s,
O,9,,,
C,10,155.6,s,
C,11,120.98,s,
C,12,129.14,s,
C,13,127.7,s,
C,14,129.14,s,
C,15,120.98,s,
C,16,35.1,s,
C,17,56.3,s,
C,18,171.67,s,
O,19,,,
N,20,,,
C,21,30.3,s,
C,22,63.53,s,
C,23,35.29,s,
C,24,171.56,s,
O,25,,,
N,26,,,
C,27,48.45,s,
C,28,17.48,s,
C,29,173.18,s,
O,30,,,
N,31,,,
C,32,46.43,s,
C,33,14.83,s,
C,34,173.85,s,
O,35,,,
N,36,,,
C,37,30.04,s,
C,38,61.57,s,
C,39,33.1,s,
C,40,127.7,s,
C,41,130.6,s,
C,42,115.5,s,
C,43,156.27,s,
O,44,,,
C,45,115.5,s,
C,46,130.6,s,
C,47,171.56,s,
O,48,,,
N,49,,,
C,50,46.43,s,
C,51,14.83,s,
C,52,173.85,s,
O,53,,,
N,54,,,
C,55,33.32,s,
H,56,3.85,s,
H,57,3.85,s,
H,58,3.85,s,
H,59,6.82,dd,"8.9,0.5"
H,60,6.59,dd,"8.9,1.9"
H,61,4.34,dd,"1.9,0.5"
H,62,7.09,ddd,"22.0,1.9,0.5"
H,63,7.36,ddd,"22.0,1.9,0.5"
H,64,7.36,ddd,"23.0,1.9,0.5"
H,65,7.09,ddd,"23.0,1.9,0.5"
H,66,3.18,dd,"15.4,2.8"
H,67,3.18,dd,"15.4,14.8"
H,68,4.49,dd,"14.8,2.8"
H,69,2.68,s,
H,70,2.68,s,
H,71,2.68,s,
H,72,4.99,dd,"12.1,6.1"
H,73,3.01,dd,"15.4,6.1"
H,74,3.01,dd,"15.4,12.1"
H,75,8.02,d,7.0
H,76,4.21,dq,"7.0,6.6"
H,77,1.24,d,6.6
H,78,1.24,d,6.6
H,79,1.24,d,6.6
H,80,8.02,d,7.0
H,81,4.07,dq,"7.0,6.6"
H,82,1.17,d,6.6
H,83,1.17,d,6.6
H,84,1.17,d,6.6
H,85,2.87,s,
H,86,2.87,s,
H,87,2.87,s,
H,88,4.75,t,6.5
H,89,3.09,d,6.5
H,90,3.09,d,6.5
H,91,7.11,ddd,"8.8,1.9,0.5"
H,92,6.69,ddd,"8.8,1.9,0.5"
H,93,,,
H,94,6.69,ddd,"8.4,1.9,0.5"
H,95,7.11,ddd,"8.4,1.9,0.5"
H,96,8.02,d,7.0
H,97,4.07,dq,"7.0,6.6"
H,98,1.17,d,6.6
H,99,1.17,d,6.6
H,100,1.17,d,6.6
H,101,3.11,s,
H,102,3.11,s,
H,103,3.11,s,
