C,1,20.9,s,
C,2,170.1,s,
O,3,,,
O,4,,,
C,5,74.82,s,
C,6,31.28,s,
C,7,43.29,s,
N,8,,,
C,9,55.95,s,
C,10,143.78,s,
C,11,124.37,s,
C,12,114.5,s,
C,13,157.92,s,
O,14,,,
C,15,100.28,s,
O,16,,,
C,17,69.92,s,
C,18,18.0,s,
C,19,71.7,s,
O,20,,,
C,21,69.4,s,
O,22,,,
C,23,78.94,s,
O,24,,,
C,25,102.5,s,
O,26,,,
C,27,74.77,s,
C,28,63.99,s,
O,29,,,
C,30,165.9,s,
O,31,,,
C,32,130.19,s,
C,33,129.62,s,
C,34,128.6,s,
C,35,133.32,s,
C,36,128.6,s,
C,37,129.62,s,
C,38,69.9,s,
O,39,,,
C,40,76.17,s,
O,41,,,
C,42,74.3,s,
O,43,,,
C,44,114.5,s,
C,45,124.37,s,
C,46,30.5,s,
C,47,162.36,s,
O,48,,,
N,49,,,
C,50,48.69,s,
C,51,22.66,s,
C,52,41.22,s,
N,53,,,
C,54,165.65,s,
O,55,,,
C,56,135.82,s,
C,57,127.87,s,
C,58,128.76,s,
C,59,131.12,s,
C,60,128.76,s,
C,61,127.87,s,
C,62,55.9,s,
H,63,1.92,s,
H,64,1.92,s,
H,65,1.92,s,
H,66,5.15,m,
H,67,2.08,m,
H,68,2.08,m,
H,69,3.11,ddd,"12.4,8.2,1.0"
H,70,3.11,ddd,"12.4,10.6,6.8"
H,71,,,
H,72,4.49,dd,"9.6,7.3"
H,73,7.05,ddd,"10.2,1.9,0.5"
H,74,6.93,ddd,"10.2,1.9,0.5"
H,75,5.12,d,2.0
H,76,3.81,qd,"6.1,1.9"
H,77,1.27,d,6.1
H,78,1.27,d,6.1
H,79,1.27,d,6.1
H,80,3.46,dd,"3.8,1.9"
H,81,,,
H,82,4.05,dd,"4.0,3.8"
H,83,,,
H,84,3.64,dd,"4.0,2.0"
H,85,5.18,d,6.2
H,86,3.48,td,"5.4,1.1"
H,87,4.47,d,5.4
H,88,4.47,d,5.4
H,89,8.01,m,
H,90,7.46,m,
H,91,7.57,ddt,"7.1,6.9,1.4"
H,92,7.46,m,
H,93,8.01,m,
H,94,3.42,dd,"3.8,1.1"
H,95,,,
H,96,3.41,dd,"3.8,1.3"
H,97,,,
H,98,4.07,dd,"6.2,1.3"
H,99,,,
H,100,6.93,ddd,"7.6,1.9,0.5"
H,101,7.05,ddd,"7.6,1.9,0.5"
H,102,2.05,dd,"15.4,7.3"
H,103,2.05,dd,"15.4,9.6"
H,104,,,
H,105,3.5,ddd,"12.4,8.1,1.6"
H,106,3.5,ddd,"12.4,12.3,1.2"
H,107,2.14,m,
H,108,2.14,m,
H,109,3.36,ddd,"12.4,9.4,1.1"
H,110,3.36,ddd,"12.4,10.7,8.0"
H,111,7.54,m,
H,112,7.44,m,
H,113,7.52,ddt,"8.2,8.0,1.4"
H,114,7.44,m,
H,115,7.54,m,
H,116,3.69,dd,"12.4,9.9"
H,117,3.69,dd,"12.4,3.1"
