C,1,14.08,s,
C,2,22.67,s,
C,3,31.8,s,
C,4,29.42,s,
C,5,29.49,s,
C,6,26.9,s,
C,7,27.48,s,
C,8,24.46,s,
C,9,42.9,s,
C,10,,,
O,11,,,
C,12,40.4,s,
C,13,175.06,s,
O,14,,,
N,15,,,
C,16,51.91,s,
C,17,40.3,s,
C,18,24.54,s,
C,19,22.39,s,
C,20,22.39,s,
C,21,172.18,s,
O,22,,,
N,23,,,
C,24,46.43,s,
C,25,14.83,s,
C,26,169.6,s,
O,27,,,
N,28,,,
C,29,47.47,s,
C,30,25.05,s,
C,31,29.14,s,
C,32,60.27,s,
C,33,171.56,s,
O,34,,,
N,35,,,
C,36,58.42,s,
C,37,30.25,s,
C,38,18.58,s,
C,39,18.58,s,
C,40,171.86,s,
O,41,,,
N,42,,,
C,43,52.7,s,
C,44,34.51,s,
S,45,,,
C,46,50.3,s,
C,47,51.55,s,
N,48,,,
C,49,171.19,s,
O,50,,,
H,51,0.88,t,7.0
H,52,0.88,t,7.0
H,53,0.88,t,7.0
H,54,1.27,qt,"7.0,6.5"
H,55,1.27,qt,"7.0,6.5"
H,56,1.27,tt,"6.6,6.5"
H,57,1.27,tt,"6.6,6.5"
H,58,1.26,m,6.6
H,59,1.26,m,6.6
H,60,1.25,m,6.6
H,61,1.25,m,6.6
H,62,1.32,m,6.6
H,63,1.32,m,6.6
H,64,1.34,m,6.6
H,65,1.34,m,6.6
H,66,1.64,tt,"6.7,6.6"
H,67,1.64,tt,"6.7,6.6"
H,68,2.44,t,6.7
H,69,2.44,t,6.7
H,70,2.83,d,4.2
H,71,7.4,d,7.0
H,72,4.03,dt,"7.0,6.2"
H,73,1.64,dd,"6.2,5.9"
H,74,1.64,dd,"6.2,5.9"
H,75,1.47,m,"6.4,5.9"
H,76,0.82,d,6.4
H,77,0.82,d,6.4
H,78,0.82,d,6.4
H,79,0.82,d,6.4
H,80,0.82,d,6.4
H,81,0.82,d,6.4
H,82,8.02,d,7.0
H,83,4.07,dq,"7.0,6.6"
H,84,1.17,d,6.6
H,85,1.17,d,6.6
H,86,1.17,d,6.6
H,87,3.7,ddd,"12.4,11.2,7.2"
H,88,3.7,ddd,"12.4,10.8,2.8"
H,89,1.96,m,
H,90,1.96,m,
H,91,2.04,tdd,"12.4,10.6,9.2"
H,92,2.04,m,
H,93,4.5,dd,"12.4,6.1"
H,94,8.05,d,7.0
H,95,4.24,dd,"7.0,5.5"
H,96,2.16,m,"6.4,5.5"
H,97,0.86,d,6.4
H,98,0.86,d,6.4
H,99,0.86,d,6.4
H,100,0.86,d,6.4
H,101,0.86,d,6.4
H,102,0.86,d,6.4
H,103,7.4,d,7.0
H,104,4.28,ddd,"7.0,6.8,1.8"
H,105,3.23,dd,"12.4,1.8"
H,106,3.23,dd,"12.4,6.8"
H,107,4.42,ddd,"11.8,4.2,2.4"
H,108,3.58,ddd,"13.4,11.8,7.0"
H,109,3.58,ddd,"13.4,7.0,2.4"
H,110,7.47,t,7.0
