C,1,18.0,s,
C,2,69.92,s,
O,3,,,
C,4,100.28,s,
O,5,,,
C,6,157.92,s,
C,7,114.5,s,
C,8,124.37,s,
C,9,143.78,s,
C,10,55.79,s,
C,11,29.71,s,
C,12,23.55,s,
C,13,46.27,s,
N,14,,,
C,15,164.61,s,
O,16,,,
C,17,118.9,s,
C,18,141.7,s,
C,19,135.4,s,
C,20,127.9,s,
C,21,128.91,s,
C,22,128.93,s,
C,23,128.91,s,
C,24,127.9,s,
C,25,41.22,s,
C,26,22.66,s,
C,27,48.69,s,
N,28,,,
C,29,162.36,s,
O,30,,,
C,31,30.5,s,
C,32,43.29,s,
N,33,,,
C,34,124.37,s,
C,35,114.5,s,
C,36,78.94,s,
O,37,,,
C,38,102.5,s,
O,39,,,
C,40,74.77,s,
C,41,63.99,s,
O,42,,,
C,43,165.9,s,
O,44,,,
C,45,130.19,s,
C,46,129.62,s,
C,47,128.6,s,
C,48,133.32,s,
C,49,128.6,s,
C,50,129.62,s,
C,51,69.9,s,
O,52,,,
C,53,76.17,s,
O,54,,,
C,55,74.3,s,
O,56,,,
C,57,69.4,s,
O,58,,,
C,59,71.7,s,
O,60,,,
H,61,1.27,d,6.1
H,62,1.27,d,6.1
H,63,1.27,d,6.1
H,64,3.81,qd,"6.1,4.6"
H,65,5.12,d,8.9
H,66,6.93,ddd,"8.6,1.9,0.5"
H,67,7.05,ddd,"8.6,1.9,0.5"
H,68,3.59,dd,"4.7,3.6"
H,69,1.84,m,
H,70,1.84,m,
H,71,1.39,m,
H,72,1.39,m,
H,73,3.26,ddd,"12.4,6.4,3.8"
H,74,3.26,td,"12.4,2.5"
H,75,7.05,d,12.0
H,76,8.44,d,12.0
H,77,7.61,m,
H,78,7.35,m,
H,79,7.31,ddt,"9.9,7.4,1.4"
H,80,7.35,m,
H,81,7.61,m,
H,82,3.36,td,"12.4,8.3"
H,83,3.36,ddd,"12.7,12.4,1.2"
H,84,2.14,m,
H,85,2.14,m,
H,86,3.5,ddd,"12.4,9.8,2.2"
H,87,3.5,ddd,"12.4,10.2,7.9"
H,88,,,
H,89,2.76,ddd,"15.4,12.9,7.7"
H,90,2.76,ddd,"15.4,5.3,1.6"
H,91,3.11,ddd,"12.4,7.7,1.6"
H,92,3.11,ddd,"12.9,12.4,5.3"
H,93,,,
H,94,7.05,ddd,"6.9,1.9,0.5"
H,95,6.93,ddd,"6.9,1.9,0.5"
H,96,3.64,dd,"8.9,7.7"
H,97,5.18,d,1.8
H,98,3.48,dt,"9.9,5.4"
H,99,4.47,d,5.4
H,100,4.47,d,5.4
H,101,8.01,m,
H,102,7.46,m,
H,103,7.57,ddt,"8.4,7.5,1.4"
H,104,7.46,m,
H,105,8.01,m,
H,106,3.42,dd,"9.9,6.7"
H,107,,,
H,108,3.41,dd,"6.7,0.5"
H,109,,,
H,110,4.07,dd,"1.8,0.5"
H,111,,,
H,112,4.05,dd,"7.8,7.7"
H,113,,,
H,114,3.46,dd,"7.8,4.6"
H,115,,,
