C,1,22.42,s,
C,2,24.66,s,
C,3,22.42,s,
C,4,36.24,s,
C,5,57.53,s,
N,6,,,
C,7,164.55,s,
O,8,,,
C,9,162.36,s,
O,10,,,
N,11,,,
C,12,57.53,s,
C,13,162.36,s,
O,14,,,
N,15,,,
C,16,57.53,s,
C,17,32.8,s,
C,18,134.98,s,
C,19,129.1,s,
C,20,128.8,s,
C,21,126.94,s,
C,22,128.8,s,
C,23,129.1,s,
C,24,162.36,s,
O,25,,,
N,26,,,
C,27,57.53,s,
C,28,30.56,s,
C,29,18.38,s,
C,30,18.38,s,
C,31,162.36,s,
O,32,,,
N,33,,,
C,34,57.53,s,
C,35,32.8,s,
C,36,134.98,s,
C,37,130.49,s,
C,38,115.71,s,
C,39,156.27,s,
O,40,,,
C,41,115.71,s,
C,42,130.49,s,
C,43,162.36,s,
O,44,,,
N,45,,,
C,46,57.97,s,
C,47,32.8,s,
C,48,110.16,s,
C,49,123.99,s,
N,50,,,
C,51,136.38,s,
C,52,111.5,s,
C,53,121.51,s,
C,54,119.23,s,
C,55,118.5,s,
C,56,127.47,s,
C,57,171.36,s,
O,58,,,
O,59,,,
C,60,74.58,s,
C,61,18.14,s,
H,62,0.8,d,6.4
H,63,0.8,d,6.4
H,64,0.8,d,6.4
H,65,1.67,m,"6.4,5.9"
H,66,0.8,d,6.4
H,67,0.8,d,6.4
H,68,0.8,d,6.4
H,69,1.87,dd,"6.2,5.9"
H,70,1.87,dd,"6.2,5.9"
H,71,4.28,t,6.2
H,72,6.53,s,
H,73,,,
H,74,,,
H,75,4.6,d,8.5
H,76,,,
H,77,4.28,t,6.3
H,78,3.5,d,6.3
H,79,3.5,d,6.3
H,80,7.25,m,
H,81,7.24,m,
H,82,7.22,ddt,"8.3,6.7,1.4"
H,83,7.24,m,
H,84,7.25,m,
H,85,,,
H,86,4.03,d,5.4
H,87,2.19,m,"6.4,5.4"
H,88,0.82,d,6.4
H,89,0.82,d,6.4
H,90,0.82,d,6.4
H,91,0.82,d,6.4
H,92,0.82,d,6.4
H,93,0.82,d,6.4
H,94,,,
H,95,4.28,t,6.3
H,96,3.5,d,6.3
H,97,3.5,d,6.3
H,98,7.03,ddd,"6.7,1.9,0.5"
H,99,6.69,ddd,"6.7,1.9,0.5"
H,100,,,
H,101,6.69,ddd,"7.4,1.9,0.5"
H,102,7.03,ddd,"7.4,1.9,0.5"
H,103,,,
H,104,4.15,t,6.2
H,105,3.5,d,6.2
H,106,3.5,d,6.2
H,107,7.11,d,0.5
H,108,,,
H,109,7.34,ddd,"8.7,1.4,0.5"
H,110,7.14,ddd,"8.7,6.3,1.4"
H,111,7.01,ddd,"9.5,6.3,1.4"
H,112,7.57,ddt,"9.5,1.4,0.5"
H,113,4.92,dq,"8.5,6.2"
H,114,1.3,d,6.2
H,115,1.3,d,6.2
H,116,1.3,d,6.2
