C,1,13.83,s,
C,2,18.84,s,
C,3,37.89,s,
C,4,175.83,s,
O,5,,,
N,6,,,
C,7,66.75,s,
C,8,30.56,s,
C,9,18.38,s,
C,10,18.38,s,
C,11,76.59,s,
C,12,38.9,s,
C,13,171.25,s,
O,14,,,
O,15,,,
C,16,67.4,s,
C,17,73.63,s,
O,18,,,
C,19,167.38,s,
N,20,,,
C,21,147.0,s,
C,22,161.1,s,
O,23,,,
O,24,,,
C,25,75.1,s,
C,26,30.9,s,
C,27,20.8,s,
C,28,49.3,s,
C,29,90.4,s,
C,30,37.2,s,
Cl,31,,,
Cl,32,,,
C,33,42.6,s,
C,34,15.0,s,
C,35,173.0,s,
O,36,,,
O,37,,,
C,38,76.3,s,
C,39,165.7,s,
N,40,,,
C,41,147.76,s,
C,42,162.87,s,
O,43,,,
O,44,,,
C,45,52.28,s,
C,46,128.1,s,
S,47,,,
C,48,77.48,s,
C,49,25.81,s,
O,50,,,
C,51,31.43,s,
C,52,8.0,s,
C,53,128.1,s,
S,54,,,
O,55,,,
C,56,170.43,s,
C,57,21.1,s,
O,58,,,
H,59,0.86,t,7.0
H,60,0.86,t,7.0
H,61,0.86,t,7.0
H,62,1.5,qt,"7.0,6.7"
H,63,1.5,qt,"7.0,6.7"
H,64,2.39,t,6.7
H,65,2.39,t,6.7
H,66,7.4,d,7.0
H,67,3.41,ddd,"7.0,5.3,5.1"
H,68,2.09,m,"6.4,5.3"
H,69,0.88,d,6.4
H,70,0.88,d,6.4
H,71,0.88,d,6.4
H,72,0.88,d,6.4
H,73,0.88,d,6.4
H,74,0.88,d,6.4
H,75,4.89,td,"5.9,5.1"
H,76,2.74,d,5.9
H,77,2.74,d,5.9
H,78,4.05,d,5.6
H,79,4.05,d,5.6
H,80,4.52,t,5.6
H,81,,,
H,82,4.88,td,"5.7,5.3"
H,83,2.28,td,"6.6,5.7"
H,84,2.28,td,"6.6,5.7"
H,85,1.37,tt,"6.6,6.5"
H,86,1.37,tt,"6.6,6.5"
H,87,2.77,t,6.5
H,88,2.77,t,6.5
H,89,2.43,s,
H,90,2.43,s,
H,91,2.43,s,
H,92,2.82,qd,"6.7,5.3"
H,93,1.23,d,6.7
H,94,1.23,d,6.7
H,95,1.23,d,6.7
H,96,4.52,s,
H,97,3.96,s,
H,98,3.96,s,
H,99,3.96,s,
H,100,7.82,s,
H,101,1.4,s,
H,102,1.4,s,
H,103,1.4,s,
H,104,,,
H,105,1.79,q,7.1
H,106,1.79,q,7.1
H,107,0.93,t,7.1
H,108,0.93,t,7.1
H,109,0.93,t,7.1
H,110,7.82,s,
H,111,2.0,s,
H,112,2.0,s,
H,113,2.0,s,
