C,1,13.91,s,
C,2,18.58,s,
C,3,33.45,s,
C,4,73.63,s,
O,5,,,
C,6,167.45,s,
O,7,,,
C,8,125.8,s,
C,9,12.6,s,
C,10,150.0,s,
C,11,33.73,s,
C,12,20.81,s,
C,13,37.4,s,
C,14,27.1,s,
C,15,23.76,s,
C,16,42.55,s,
C,17,,,
O,18,,,
C,19,43.13,s,
C,20,22.1,s,
C,21,34.7,s,
C,22,45.3,s,
C,23,28.4,s,
C,24,11.9,s,
C,25,139.64,s,
C,26,126.34,s,
C,27,131.07,s,
C,28,143.41,s,
C,29,63.93,s,
O,30,,,
C,31,26.83,s,
C,32,30.57,s,
C,33,73.9,s,
O,34,,,
C,35,72.9,s,
O,36,,,
C,37,36.0,s,
C,38,69.32,s,
O,39,,,
C,40,58.4,s,
N,41,,,
C,42,162.36,s,
O,43,,,
H,44,0.92,t,7.0
H,45,0.92,t,7.0
H,46,0.92,t,7.0
H,47,1.4,qt,"7.0,6.6"
H,48,1.4,qt,"7.0,6.6"
H,49,1.74,td,"6.6,6.0"
H,50,1.74,td,"6.6,6.0"
H,51,4.52,t,6.0
H,52,2.12,s,
H,53,2.12,s,
H,54,2.12,s,
H,55,5.92,d,8.4
H,56,2.68,m,
H,57,1.03,d,6.7
H,58,1.03,d,6.7
H,59,1.03,d,6.7
H,60,1.58,m,
H,61,1.58,m,
H,62,1.34,m,
H,63,1.34,m,
H,64,1.64,m,
H,65,1.64,m,
H,66,2.42,ddd,"15.4,14.0,6.2"
H,67,2.42,ddd,"15.4,13.1,2.5"
H,68,2.41,ddd,"15.4,11.4,1.3"
H,69,2.41,ddd,"15.4,10.3,8.7"
H,70,1.52,m,
H,71,1.52,m,
H,72,1.58,m,
H,73,1.58,m,
H,74,1.56,m,
H,75,1.26,qd,"7.0,6.2"
H,76,1.26,qd,"7.0,6.2"
H,77,0.76,t,7.0
H,78,0.76,t,7.0
H,79,0.76,t,7.0
H,80,6.16,dd,"12.0,3.4"
H,81,6.38,dd,"12.0,3.4"
H,82,6.26,d,3.4
H,83,3.94,s,
H,84,3.94,s,
H,85,,,
H,86,2.44,ddd,"15.4,11.6,2.7"
H,87,2.44,ddd,"15.4,5.7,2.7"
H,88,1.8,m,
H,89,1.8,m,
H,90,3.81,ddd,"11.2,5.0,0.9"
H,91,,,
H,92,4.17,ddd,"10.6,5.8,0.9"
H,93,,,
H,94,2.14,ddd,"12.4,11.2,5.8"
H,95,2.14,ddd,"12.4,10.6,4.5"
H,96,4.11,m,
H,97,,,
H,98,3.67,dd,"12.4,3.8"
H,99,3.67,dd,"12.4,11.6"
H,100,,,
