C,1,16.62,s,
C,2,54.9,s,
N,3,,,
C,4,52.73,s,
C,5,34.14,s,
C,6,25.4,s,
C,7,28.6,s,
C,8,29.1,s,
C,9,29.1,s,
C,10,29.6,s,
C,11,29.51,s,
C,12,29.66,s,
C,13,29.95,s,
C,14,28.83,s,
C,15,144.0,s,
C,16,128.23,s,
C,17,141.57,s,
C,18,33.1,s,
C,19,31.7,s,
C,20,29.66,s,
C,21,29.51,s,
C,22,29.07,s,
C,23,29.1,s,
C,24,28.6,s,
C,25,25.4,s,
C,26,34.14,s,
C,27,52.73,s,
C,28,29.71,s,
C,29,30.57,s,
C,30,71.75,s,
O,31,,,
C,32,54.9,s,
C,33,16.62,s,
N,34,,,
C,35,146.7,s,
N,36,,,
C,37,133.43,s,
C,38,127.06,s,
C,39,127.06,s,
C,40,58.9,s,
C,41,29.71,s,
C,42,30.57,s,
C,43,71.75,s,
O,44,,,
H,45,1.0,d,6.3
H,46,1.0,d,6.3
H,47,1.0,d,6.3
H,48,3.23,qd,"6.3,2.0"
H,49,,,
H,50,2.83,dtd,"12.2,5.8,2.9"
H,51,1.84,td,"6.6,5.8"
H,52,1.84,td,"6.6,5.8"
H,53,1.29,m,6.6
H,54,1.29,m,6.6
H,55,1.32,m,6.6
H,56,1.32,m,6.6
H,57,1.26,m,6.6
H,58,1.26,m,6.6
H,59,1.26,m,6.6
H,60,1.26,m,6.6
H,61,1.23,m,6.6
H,62,1.23,m,6.6
H,63,1.33,m,6.6
H,64,1.33,m,6.6
H,65,1.35,m,6.6
H,66,1.35,m,6.6
H,67,1.67,tt,"6.7,6.6"
H,68,1.67,tt,"6.7,6.6"
H,69,2.81,t,6.7
H,70,2.81,t,6.7
H,71,7.06,d,1.9
H,72,2.84,t,6.7
H,73,2.84,t,6.7
H,74,1.68,tt,"6.7,6.6"
H,75,1.68,tt,"6.7,6.6"
H,76,1.35,m,6.6
H,77,1.35,m,6.6
H,78,1.33,m,6.6
H,79,1.33,m,6.6
H,80,1.23,m,6.6
H,81,1.23,m,6.6
H,82,1.26,m,6.6
H,83,1.26,m,6.6
H,84,1.32,m,6.6
H,85,1.32,m,6.6
H,86,1.29,m,6.6
H,87,1.29,m,6.6
H,88,1.84,td,"6.6,5.8"
H,89,1.84,td,"6.6,5.8"
H,90,2.83,dtd,"7.9,5.8,1.2"
H,91,1.84,m,
H,92,1.84,m,
H,93,1.8,m,
H,94,1.8,m,
H,95,4.22,ddd,"9.6,3.9,1.5"
H,96,,,
H,97,3.23,qd,"6.3,1.5"
H,98,1.0,d,6.3
H,99,1.0,d,6.3
H,100,1.0,d,6.3
H,101,,,
H,102,9.47,d,1.9
H,103,7.44,d,6.6
H,104,6.44,ddd,"6.6,3.7,3.4"
H,105,5.45,dd,"22.4,3.7"
H,106,5.45,dd,"22.4,3.4"
H,107,1.84,m,
H,108,1.84,m,
H,109,1.8,m,
H,110,1.8,m,
H,111,4.22,ddd,"3.2,2.1,2.0"
H,112,,,
