C,1,17.61,s,
C,2,129.99,s,
C,3,133.32,s,
C,4,81.22,s,
O,5,,,
C,6,161.2,s,
O,7,,,
C,8,133.4,s,
C,9,143.2,s,
O,10,,,
C,11,161.5,s,
N,12,,,
C,13,118.64,s,
C,14,132.45,s,
C,15,130.27,s,
C,16,133.32,s,
C,17,53.76,s,
O,18,,,
C,19,53.76,s,
C,20,133.32,s,
C,21,129.97,s,
C,22,28.6,s,
C,23,78.5,s,
C,24,41.6,s,
C,25,18.77,s,
C,26,18.77,s,
C,27,76.0,s,
O,28,,,
C,29,129.1,s,
C,30,129.35,s,
C,31,17.8,s,
O,32,,,
C,33,161.3,s,
O,34,,,
C,35,132.9,s,
C,36,144.1,s,
O,37,,,
C,38,162.2,s,
N,39,,,
C,40,34.9,s,
C,41,78.8,s,
O,42,,,
C,43,56.4,s,
C,44,132.9,s,
C,45,128.4,s,
C,46,128.4,s,
C,47,125.2,s,
C,48,126.3,s,
C,49,132.39,s,
C,50,31.73,s,
C,51,75.84,s,
O,52,,,
C,53,41.54,s,
C,54,19.2,s,
C,55,19.2,s,
H,56,1.62,d,7.0
H,57,1.62,d,7.0
H,58,1.62,d,7.0
H,59,5.76,dq,"15.0,7.0"
H,60,6.14,dd,"15.0,7.0"
H,61,4.9,d,7.0
H,62,7.99,s,
H,63,6.13,s,
H,64,6.57,d,5.7
H,65,6.99,d,5.7
H,66,6.14,d,3.7
H,67,4.57,dd,"8.3,3.7"
H,68,4.57,dd,"8.3,2.6"
H,69,6.14,d,2.6
H,70,5.7,dd,"10.0,4.8"
H,71,2.53,ddd,"15.4,10.0,7.3"
H,72,2.53,ddd,"15.4,9.4,4.8"
H,73,5.18,dd,"9.4,7.3"
H,74,0.89,s,
H,75,0.89,s,
H,76,0.89,s,
H,77,0.89,s,
H,78,0.89,s,
H,79,0.89,s,
H,80,3.79,d,7.0
H,81,,,
H,82,5.4,dd,"15.0,7.0"
H,83,5.4,dq,"15.0,7.0"
H,84,1.64,d,7.0
H,85,1.64,d,7.0
H,86,1.64,d,7.0
H,87,8.1,s,
H,88,2.95,dd,"15.4,1.1"
H,89,2.95,dd,"15.4,8.7"
H,90,3.97,ddd,"10.7,8.7,1.1"
H,91,3.15,s,
H,92,3.15,s,
H,93,3.15,s,
H,94,5.4,d,10.7
H,95,6.52,d,4.3
H,96,5.94,d,4.3
H,97,6.24,d,4.1
H,98,6.41,d,4.1
H,99,5.4,dd,"5.0,2.7"
H,100,1.91,ddd,"15.4,12.3,5.0"
H,101,1.91,ddd,"15.4,3.6,2.7"
H,102,4.12,dd,"12.3,3.6"
H,103,,,
H,104,0.89,s,
H,105,0.89,s,
H,106,0.89,s,
H,107,0.89,s,
H,108,0.89,s,
H,109,0.89,s,
