C,1,113.66,s,
C,2,143.93,s,
C,3,41.72,s,
C,4,23.34,s,
C,5,23.34,s,
C,6,41.86,s,
C,7,113.19,s,
C,8,147.35,s,
O,9,,,
C,10,162.16,s,
O,11,,,
N,12,,,
C,13,137.88,s,
C,14,100.28,s,
C,15,143.53,s,
C,16,121.1,s,
N,17,,,
C,18,55.15,s,
C,19,30.5,s,
C,20,101.05,s,
O,21,,,
O,22,,,
C,23,77.06,s,
C,24,42.83,s,
C,25,41.86,s,
C,26,23.79,s,
C,27,41.86,s,
C,28,48.86,s,
C,29,39.61,s,
C,30,22.04,s,
C,31,35.28,s,
C,32,35.28,s,
C,33,33.69,s,
C,34,27.39,s,
C,35,27.39,s,
C,36,40.4,s,
C,37,54.73,s,
C,38,40.4,s,
C,39,18.87,s,
C,40,139.59,s,
N,41,,,
C,42,159.19,s,
O,43,,,
N,44,,,
C,45,,,
N,46,,,
O,47,,,
C,48,62.25,s,
C,49,139.75,s,
C,50,114.42,s,
C,51,128.15,s,
C,52,122.44,s,
C,53,124.58,s,
C,54,134.28,s,
H,55,5.16,dd,"16.0,2.5"
H,56,5.16,dd,"12.0,2.5"
H,57,5.97,dd,"16.0,12.0"
H,58,1.1,s,
H,59,1.1,s,
H,60,1.1,s,
H,61,1.1,s,
H,62,1.1,s,
H,63,1.1,s,
H,64,6.25,s,
H,65,,,
H,66,7.43,s,
H,67,7.0,s,
H,68,4.65,ddd,"10.0,9.7,8.1"
H,69,2.05,dd,"12.4,10.0"
H,70,2.05,dd,"12.4,9.7"
H,71,,,
H,72,4.88,dd,"2.3,2.2"
H,73,2.1,dd,"12.4,2.3"
H,74,2.1,d,12.4
H,75,1.13,s,
H,76,1.13,s,
H,77,1.13,s,
H,78,2.06,s,
H,79,2.06,s,
H,80,0.92,s,
H,81,0.92,s,
H,82,0.92,s,
H,83,1.72,ddd,"12.4,9.5,1.3"
H,84,1.72,ddd,"12.4,10.9,9.2"
H,85,1.72,ddd,"12.4,9.2,1.3"
H,86,1.72,ddd,"12.4,10.9,9.5"
H,87,1.0,s,
H,88,1.0,s,
H,89,1.0,s,
H,90,1.0,s,
H,91,1.0,s,
H,92,1.0,s,
H,93,2.83,d,9.3
H,94,1.86,dd,"9.3,2.2"
H,95,2.83,dq,"8.1,6.7"
H,96,1.03,d,6.7
H,97,1.03,d,6.7
H,98,1.03,d,6.7
H,99,8.28,s,
H,100,7.97,s,
H,101,3.73,s,
H,102,3.73,s,
H,103,3.73,s,
H,104,7.14,ddd,"8.2,1.4,0.5"
H,105,7.23,ddd,"8.2,6.3,1.4"
H,106,6.94,ddd,"8.9,6.3,1.4"
H,107,7.25,ddd,"8.9,1.4,0.5"
