C,1,17.8,s,
C,2,129.35,s,
C,3,129.1,s,
C,4,76.0,s,
O,5,,,
C,6,41.6,s,
C,7,18.77,s,
C,8,18.77,s,
C,9,78.5,s,
C,10,28.6,s,
C,11,129.97,s,
C,12,133.32,s,
C,13,53.76,s,
O,14,,,
C,15,53.76,s,
C,16,133.32,s,
C,17,130.27,s,
C,18,132.45,s,
C,19,118.64,s,
C,20,161.5,s,
N,21,,,
C,22,133.4,s,
C,23,143.2,s,
O,24,,,
C,25,161.1,s,
O,26,,,
O,27,,,
C,28,77.7,s,
C,29,41.5,s,
C,30,18.77,s,
C,31,18.77,s,
C,32,76.0,s,
O,33,,,
C,34,129.1,s,
C,35,129.35,s,
C,36,17.8,s,
C,37,27.8,s,
C,38,129.3,s,
C,39,126.3,s,
C,40,125.2,s,
C,41,128.4,s,
C,42,128.4,s,
C,43,132.9,s,
C,44,78.8,s,
O,45,,,
C,46,56.4,s,
C,47,34.9,s,
C,48,162.2,s,
N,49,,,
C,50,132.9,s,
C,51,144.1,s,
O,52,,,
C,53,161.3,s,
O,54,,,
O,55,,,
H,56,1.64,d,7.0
H,57,1.64,d,7.0
H,58,1.64,d,7.0
H,59,5.4,dq,"15.0,7.0"
H,60,5.4,dd,"15.0,7.0"
H,61,3.79,d,7.0
H,62,,,
H,63,0.89,s,
H,64,0.89,s,
H,65,0.89,s,
H,66,0.89,s,
H,67,0.89,s,
H,68,0.89,s,
H,69,5.18,dd,"9.3,0.7"
H,70,2.53,ddd,"15.4,3.5,0.7"
H,71,2.53,ddd,"15.4,9.3,7.4"
H,72,5.7,dd,"7.4,3.5"
H,73,6.14,d,4.1
H,74,4.57,dd,"7.2,4.1"
H,75,4.57,dd,"7.2,2.6"
H,76,6.14,d,2.6
H,77,6.99,d,3.0
H,78,6.57,d,3.0
H,79,6.13,s,
H,80,7.99,s,
H,81,5.3,dd,"12.4,2.2"
H,82,0.89,s,
H,83,0.89,s,
H,84,0.89,s,
H,85,0.89,s,
H,86,0.89,s,
H,87,0.89,s,
H,88,3.79,d,7.0
H,89,,,
H,90,5.4,dd,"15.0,7.0"
H,91,5.4,dq,"15.0,7.0"
H,92,1.64,d,7.0
H,93,1.64,d,7.0
H,94,1.64,d,7.0
H,95,2.52,ddd,"15.4,6.5,2.2"
H,96,2.52,ddd,"15.4,12.4,6.3"
H,97,5.4,dd,"6.5,6.3"
H,98,6.41,d,3.3
H,99,6.24,d,3.3
H,100,5.94,d,3.1
H,101,6.52,d,3.1
H,102,5.4,d,4.1
H,103,3.97,ddd,"7.7,4.1,1.2"
H,104,3.15,s,
H,105,3.15,s,
H,106,3.15,s,
H,107,2.95,dd,"15.4,1.2"
H,108,2.95,dd,"15.4,7.7"
H,109,8.1,s,
