C,1,13.7,s,
C,2,50.7,s,
N,3,,,
C,4,56.35,s,
C,5,38.5,s,
C,6,72.44,s,
O,7,,,
C,8,166.82,s,
O,9,,,
C,10,115.59,s,
C,11,130.89,s,
C,12,120.26,s,
C,13,134.2,s,
C,14,119.9,s,
C,15,141.3,s,
N,16,,,
C,17,168.0,s,
C,18,25.1,s,
O,19,,,
C,20,27.85,s,
C,21,24.85,s,
C,22,78.41,s,
O,23,,,
C,24,57.07,s,
C,25,49.44,s,
C,26,43.5,s,
C,27,29.6,s,
C,28,38.0,s,
C,29,82.75,s,
O,30,,,
C,31,56.14,s,
C,32,40.59,s,
C,33,76.45,s,
O,34,,,
C,35,48.16,s,
C,36,75.53,s,
O,37,,,
C,38,176.11,s,
O,39,,,
C,40,34.98,s,
C,41,18.44,s,
C,42,18.44,s,
C,43,85.2,s,
O,44,,,
C,45,63.5,s,
C,46,76.57,s,
O,47,,,
C,48,57.81,s,
C,49,51.51,s,
H,50,1.07,t,6.8
H,51,1.07,t,6.8
H,52,1.07,t,6.8
H,53,3.01,q,6.8
H,54,3.01,q,6.8
H,55,2.65,s,
H,56,2.65,s,
H,57,4.07,s,
H,58,4.07,s,
H,59,7.93,ddd,"9.1,1.4,0.5"
H,60,7.43,ddd,"9.1,6.5,1.4"
H,61,7.22,ddd,"8.1,6.5,1.4"
H,62,7.15,ddd,"8.1,1.4,0.5"
H,63,10.24,s,
H,64,2.18,s,
H,65,2.18,s,
H,66,2.18,s,
H,67,2.17,ddd,"12.4,3.0,2.5"
H,68,2.17,ddd,"13.7,12.4,5.2"
H,69,1.79,m,
H,70,1.79,m,
H,71,3.43,dd,"12.2,3.3"
H,72,3.09,s,
H,73,3.09,s,
H,74,3.09,s,
H,75,2.08,ddd,"13.6,8.5,6.9"
H,76,2.04,ddd,"12.4,6.9,3.3"
H,77,2.04,ddd,"13.6,12.4,2.6"
H,78,2.38,ddt,"3.7,3.3,2.6"
H,79,3.31,ddd,"8.3,3.7,1.6"
H,80,3.27,s,
H,81,3.27,s,
H,82,3.27,s,
H,83,2.69,dd,"12.4,8.3"
H,84,2.69,dd,"12.4,1.6"
H,85,,,
H,86,3.07,dd,"8.5,6.5"
H,87,4.76,dd,"6.5,2.6"
H,88,2.54,m,6.6
H,89,1.14,d,6.6
H,90,1.14,d,6.6
H,91,1.14,d,6.6
H,92,1.14,d,6.6
H,93,1.14,d,6.6
H,94,1.14,d,6.6
H,95,,,
H,96,3.02,s,
H,97,3.92,d,7.4
H,98,3.41,s,
H,99,3.41,s,
H,100,3.41,s,
H,101,1.72,d,7.4
