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,22,29.6,s,
C,23,29.1,s,
C,24,29.1,s,
C,25,28.6,s,
C,26,25.4,s,
C,27,34.14,s,
C,28,52.73,s,
C,29,29.71,s,
C,30,30.57,s,
C,31,71.75,s,
O,32,,,
C,33,54.9,s,
C,34,16.62,s,
N,35,,,
C,36,146.7,s,
N,37,,,
C,38,133.43,s,
C,39,22.05,s,
C,40,23.44,s,
C,41,59.29,s,
C,42,29.71,s,
C,43,30.57,s,
C,44,71.75,s,
O,45,,,
H,46,1.0,d,6.3
H,47,1.0,d,6.3
H,48,1.0,d,6.3
H,49,3.23,qd,"6.3,2.0"
H,50,,,
H,51,2.83,dtd,"8.2,5.8,0.3"
H,52,1.84,td,"6.6,5.8"
H,53,1.84,td,"6.6,5.8"
H,54,1.29,m,6.6
H,55,1.29,m,6.6
H,56,1.32,m,6.6
H,57,1.32,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,61,1.26,m,6.6
H,62,1.23,m,6.6
H,63,1.23,m,6.6
H,64,1.33,m,6.6
H,65,1.33,m,6.6
H,66,1.35,m,6.6
H,67,1.35,m,6.6
H,68,1.67,tt,"6.7,6.6"
H,69,1.67,tt,"6.7,6.6"
H,70,2.81,t,6.7
H,71,2.81,t,6.7
H,72,7.06,d,1.9
H,73,2.84,t,6.7
H,74,2.84,t,6.7
H,75,1.68,tt,"6.7,6.6"
H,76,1.68,tt,"6.7,6.6"
H,77,1.35,m,6.6
H,78,1.35,m,6.6
H,79,1.33,m,6.6
H,80,1.33,m,6.6
H,81,1.23,m,6.6
H,82,1.23,m,6.6
H,83,1.26,m,6.6
H,84,1.26,m,6.6
H,85,1.26,m,6.6
H,86,1.26,m,6.6
H,87,1.32,m,6.6
H,88,1.32,m,6.6
H,89,1.29,m,6.6
H,90,1.29,m,6.6
H,91,1.84,td,"6.6,5.8"
H,92,1.84,td,"6.6,5.8"
H,93,2.83,dtd,"7.5,5.8,1.6"
H,94,1.84,m,
H,95,1.84,m,
H,96,1.8,m,
H,97,1.8,m,
H,98,4.22,ddd,"11.3,5.5,5.4"
H,99,,,
H,100,3.23,qd,"6.3,5.5"
H,101,1.0,d,6.3
H,102,1.0,d,6.3
H,103,1.0,d,6.3
H,104,,,
H,105,9.47,d,1.9
H,106,3.35,dd,"12.4,5.9"
H,107,3.35,ddd,"13.3,12.4,6.4"
H,108,1.88,m,
H,109,1.88,m,
H,110,4.85,ddd,"13.5,12.4,7.3"
H,111,4.85,ddd,"12.4,6.7,0.5"
H,112,1.84,m,
H,113,1.84,m,
H,114,1.8,m,
H,115,1.8,m,
H,116,4.22,ddd,"8.4,2.2,2.0"
H,117,,,
