C,1,18.38,s,
C,2,30.56,s,
C,3,18.38,s,
C,4,57.53,s,
N,5,,,
C,6,162.36,s,
O,7,,,
C,8,73.63,s,
O,9,,,
C,10,57.53,s,
N,11,,,
C,12,29.71,s,
C,13,24.68,s,
C,14,29.06,s,
C,15,29.21,s,
C,16,26.61,s,
C,17,30.5,s,
C,18,70.34,s,
Cl,19,,,
Cl,20,,,
C,21,169.5,s,
O,22,,,
N,23,,,
C,24,30.17,s,
C,25,57.6,s,
C,26,169.8,s,
O,27,,,
N,28,,,
C,29,33.32,s,
C,30,56.3,s,
C,31,35.1,s,
C,32,127.7,s,
C,33,130.6,s,
C,34,115.5,s,
C,35,156.27,s,
O,36,,,
C,37,115.5,s,
C,38,130.6,s,
C,39,167.9,s,
O,40,,,
N,41,,,
C,42,47.19,s,
C,43,24.46,s,
C,44,29.11,s,
C,45,60.26,s,
C,46,175.7,s,
O,47,,,
O,48,,,
C,49,26.86,s,
C,50,18.39,s,
C,51,18.39,s,
H,52,0.88,d,6.4
H,53,0.88,d,6.4
H,54,0.88,d,6.4
H,55,2.09,m,"6.4,5.3"
H,56,0.88,d,6.4
H,57,0.88,d,6.4
H,58,0.88,d,6.4
H,59,5.02,d,5.3
H,60,,,
H,61,4.52,d,5.3
H,62,,,
H,63,4.28,td,"6.0,5.3"
H,64,,,
H,65,,,
H,66,1.84,td,"6.6,6.0"
H,67,1.84,td,"6.6,6.0"
H,68,1.29,m,6.6
H,69,1.29,m,6.6
H,70,1.32,m,6.6
H,71,1.32,m,6.6
H,72,1.27,m,6.6
H,73,1.27,m,6.6
H,74,1.37,tt,"6.6,6.5"
H,75,1.37,tt,"6.6,6.5"
H,76,2.05,td,"6.5,5.6"
H,77,2.05,td,"6.5,5.6"
H,78,5.84,t,5.6
H,79,2.99,s,
H,80,2.99,s,
H,81,2.99,s,
H,82,5.24,d,5.7
H,83,2.92,s,
H,84,2.92,s,
H,85,2.92,s,
H,86,4.49,t,6.5
H,87,3.18,d,6.5
H,88,3.18,d,6.5
H,89,7.11,ddd,"7.7,1.9,0.5"
H,90,6.69,ddd,"7.7,1.9,0.5"
H,91,,,
H,92,6.69,ddd,"6.9,1.9,0.5"
H,93,7.11,ddd,"6.9,1.9,0.5"
H,94,3.68,ddd,"12.4,8.6,1.3"
H,95,3.68,ddd,"12.4,10.3,9.5"
H,96,2.07,m,
H,97,2.07,m,
H,98,2.12,m,
H,99,2.12,m,
H,100,4.68,dd,"10.7,3.6"
H,101,,,
H,102,2.41,m,"6.4,5.7"
H,103,0.85,d,6.4
H,104,0.85,d,6.4
H,105,0.85,d,6.4
H,106,0.85,d,6.4
H,107,0.85,d,6.4
H,108,0.85,d,6.4
