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,11,130.3,s,
C,12,132.44,s,
C,13,70.66,s,
O,14,,,
C,15,70.66,s,
O,16,,,
C,17,133.32,s,
C,18,130.27,s,
C,19,132.45,s,
C,20,118.64,s,
C,21,161.5,s,
N,22,,,
C,23,133.4,s,
C,24,143.2,s,
O,25,,,
C,26,161.1,s,
O,27,,,
O,28,,,
C,29,77.7,s,
C,30,41.5,s,
C,31,18.77,s,
C,32,18.77,s,
C,33,76.0,s,
O,34,,,
C,35,129.1,s,
C,36,129.35,s,
C,37,17.8,s,
C,38,27.8,s,
C,39,129.3,s,
C,40,126.3,s,
C,41,125.2,s,
C,42,128.4,s,
C,43,128.4,s,
C,44,132.9,s,
C,45,78.8,s,
O,46,,,
C,47,56.4,s,
C,48,34.9,s,
C,49,162.2,s,
N,50,,,
C,51,132.9,s,
C,52,144.1,s,
O,53,,,
C,54,161.3,s,
O,55,,,
O,56,,,
H,57,1.64,d,7.0
H,58,1.64,d,7.0
H,59,1.64,d,7.0
H,60,5.4,dq,"15.0,7.0"
H,61,5.4,dd,"15.0,7.0"
H,62,3.79,d,7.0
H,63,,,
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,69,0.89,s,
H,70,5.18,dd,"4.9,4.2"
H,71,2.53,ddd,"15.4,7.0,4.2"
H,72,2.53,ddd,"15.4,4.9,2.6"
H,73,5.4,dd,"7.0,2.6"
H,74,5.44,d,3.4
H,75,4.22,dd,"10.2,3.4"
H,76,,,
H,77,4.22,dd,"10.2,5.2"
H,78,,,
H,79,6.14,d,5.2
H,80,6.99,d,2.9
H,81,6.57,d,2.9
H,82,6.13,s,
H,83,7.99,s,
H,84,5.3,dd,"13.0,3.0"
H,85,0.89,s,
H,86,0.89,s,
H,87,0.89,s,
H,88,0.89,s,
H,89,0.89,s,
H,90,0.89,s,
H,91,3.79,d,7.0
H,92,,,
H,93,5.4,dd,"15.0,7.0"
H,94,5.4,dq,"15.0,7.0"
H,95,1.64,d,7.0
H,96,1.64,d,7.0
H,97,1.64,d,7.0
H,98,2.52,ddd,"15.4,13.0,6.1"
H,99,2.52,ddd,"15.4,8.3,3.0"
H,100,5.4,dd,"8.3,6.1"
H,101,6.41,d,2.7
H,102,6.24,d,2.7
H,103,5.94,d,2.5
H,104,6.52,d,2.5
H,105,5.4,d,8.9
H,106,3.97,ddd,"10.0,8.9,2.3"
H,107,3.15,s,
H,108,3.15,s,
H,109,3.15,s,
H,110,2.95,dd,"15.4,10.0"
H,111,2.95,dd,"15.4,2.3"
H,112,8.1,s,
