C,1,22.39,s,
C,2,24.3,s,
C,3,22.39,s,
C,4,40.35,s,
C,5,51.75,s,
N,6,,,
C,7,171.8,s,
O,8,,,
C,9,54.51,s,
C,10,25.97,s,
C,11,110.12,s,
C,12,123.08,s,
N,13,,,
C,14,136.07,s,
C,15,111.5,s,
C,16,121.51,s,
C,17,119.23,s,
C,18,118.23,s,
C,19,127.15,s,
N,20,,,
C,21,170.61,s,
O,22,,,
C,23,53.3,s,
C,24,61.3,s,
O,25,,,
N,26,,,
C,27,57.53,s,
C,28,19.8,s,
C,29,56.75,s,
C,30,29.71,s,
C,31,23.68,s,
C,32,46.38,s,
N,33,,,
C,34,169.5,s,
O,35,,,
C,36,57.01,s,
C,37,66.68,s,
C,38,19.32,s,
O,39,,,
N,40,,,
C,41,168.97,s,
O,42,,,
C,43,42.24,s,
N,44,,,
C,45,166.8,s,
O,46,,,
C,47,48.46,s,
C,48,17.63,s,
N,49,,,
C,50,172.18,s,
O,51,,,
H,52,0.82,d,6.4
H,53,0.82,d,6.4
H,54,0.82,d,6.4
H,55,1.47,m,"6.4,5.9"
H,56,0.82,d,6.4
H,57,0.82,d,6.4
H,58,0.82,d,6.4
H,59,1.64,dd,"6.2,5.9"
H,60,1.64,dd,"6.2,5.9"
H,61,4.03,dt,"7.0,6.2"
H,62,8.13,d,7.0
H,63,5.2,dt,"7.0,6.3"
H,64,4.0,d,6.3
H,65,4.0,d,6.3
H,66,7.31,d,0.5
H,67,,,
H,68,7.34,ddd,"6.5,1.4,0.5"
H,69,7.14,ddd,"7.0,6.5,1.4"
H,70,7.01,ddd,"9.1,7.0,1.4"
H,71,7.57,ddt,"9.1,1.4,0.5"
H,72,8.01,d,7.0
H,73,4.33,t,5.7
H,74,3.6,d,5.7
H,75,3.6,d,5.7
H,76,,,
H,77,,,
H,78,4.28,dq,"8.6,6.3"
H,79,1.29,d,6.3
H,80,1.29,d,6.3
H,81,1.29,d,6.3
H,82,2.3,ddd,"12.8,8.6,7.1"
H,83,1.84,m,
H,84,1.84,m,
H,85,1.9,m,
H,86,1.9,m,
H,87,3.35,dd,"12.4,7.8"
H,88,3.35,ddd,"13.2,12.4,7.0"
H,89,4.48,dd,"7.0,5.1"
H,90,4.16,qd,"6.1,5.1"
H,91,1.15,d,6.1
H,92,1.15,d,6.1
H,93,1.15,d,6.1
H,94,,,
H,95,6.81,d,7.0
H,96,3.8,d,7.0
H,97,3.8,d,7.0
H,98,8.17,t,7.0
H,99,4.21,dq,"7.0,6.6"
H,100,1.24,d,6.6
H,101,1.24,d,6.6
H,102,1.24,d,6.6
H,103,8.03,d,7.0
