C,1,11.76,s,
C,2,26.69,s,
C,3,41.07,s,
C,4,16.27,s,
C,5,175.75,s,
O,6,,,
O,7,,,
C,8,75.53,s,
C,9,38.0,s,
C,10,29.6,s,
C,11,43.5,s,
C,12,48.16,s,
C,13,76.45,s,
O,14,,,
C,15,40.59,s,
C,16,82.75,s,
O,17,,,
C,18,56.14,s,
C,19,85.2,s,
O,20,,,
C,21,76.57,s,
O,22,,,
C,23,57.81,s,
C,24,51.51,s,
C,25,38.5,s,
C,26,72.44,s,
O,27,,,
C,28,166.82,s,
O,29,,,
C,30,126.75,s,
C,31,130.1,s,
C,32,127.7,s,
C,33,131.17,s,
C,34,116.11,s,
C,35,142.35,s,
N,36,,,
C,37,172.36,s,
O,38,,,
C,39,36.65,s,
C,40,35.38,s,
C,41,15.94,s,
C,42,173.33,s,
O,43,,,
C,44,27.85,s,
C,45,24.85,s,
C,46,78.41,s,
O,47,,,
C,48,57.07,s,
C,49,49.44,s,
C,50,63.5,s,
N,51,,,
C,52,50.7,s,
C,53,13.7,s,
C,54,56.35,s,
H,55,0.91,t,7.0
H,56,0.91,t,7.0
H,57,0.91,t,7.0
H,58,1.69,qd,"7.0,6.1"
H,59,1.69,qd,"7.0,6.1"
H,60,2.34,qt,"6.7,6.1"
H,61,1.14,d,6.7
H,62,1.14,d,6.7
H,63,1.14,d,6.7
H,64,4.76,dd,"7.1,5.4"
H,65,2.38,m,
H,66,2.04,ddd,"12.4,8.0,1.5"
H,67,2.04,ddd,"12.4,9.9,9.6"
H,68,2.08,ddd,"9.6,8.0,7.5"
H,69,3.07,dd,"7.5,7.1"
H,70,,,
H,71,2.69,dd,"12.4,9.9"
H,72,2.69,dd,"12.4,1.9"
H,73,3.31,ddd,"9.9,2.1,1.9"
H,74,3.27,s,
H,75,3.27,s,
H,76,3.27,s,
H,77,,,
H,78,3.92,d,2.3
H,79,3.41,s,
H,80,3.41,s,
H,81,3.41,s,
H,82,1.72,d,2.3
H,83,4.07,s,
H,84,4.07,s,
H,85,8.04,ddd,"7.5,1.4,0.5"
H,86,7.71,ddd,"7.6,7.5,1.4"
H,87,7.57,ddd,"7.6,7.3,1.4"
H,88,7.35,ddd,"7.3,1.4,0.5"
H,89,2.5,dd,"18.4,3.0"
H,90,2.5,dd,"18.4,10.1"
H,91,3.08,dqd,"10.1,6.7,3.0"
H,92,1.46,d,6.7
H,93,1.46,d,6.7
H,94,1.46,d,6.7
H,95,2.17,ddd,"13.5,12.4,3.3"
H,96,2.17,ddd,"12.4,4.6,2.7"
H,97,1.79,m,
H,98,1.79,m,
H,99,3.43,dd,"9.8,7.4"
H,100,3.09,s,
H,101,3.09,s,
H,102,3.09,s,
H,103,3.02,s,
H,104,3.01,q,6.8
H,105,3.01,q,6.8
H,106,1.07,t,6.8
H,107,1.07,t,6.8
H,108,1.07,t,6.8
H,109,2.65,s,
H,110,2.65,s,
