C,1,57.81,s,
O,2,,,
C,3,80.3,s,
C,4,172.05,s,
O,5,,,
O,6,,,
C,7,76.5,s,
C,8,16.8,s,
C,9,39.01,s,
C,10,17.63,s,
C,11,129.94,s,
C,12,133.12,s,
C,13,20.2,s,
C,14,33.14,s,
C,15,40.4,s,
C,16,18.87,s,
C,17,162.36,s,
O,18,,,
N,19,,,
C,20,57.53,s,
C,21,19.8,s,
C,22,169.5,s,
O,23,,,
N,24,,,
C,25,31.45,s,
C,26,57.53,s,
C,27,35.29,s,
C,28,110.16,s,
C,29,123.99,s,
N,30,,,
C,31,136.38,s,
C,32,111.5,s,
C,33,121.51,s,
C,34,119.23,s,
C,35,118.5,s,
C,36,127.47,s,
C,37,162.36,s,
O,38,,,
N,39,,,
C,40,68.3,s,
C,41,139.39,s,
C,42,124.37,s,
C,43,114.55,s,
C,44,153.03,s,
O,45,,,
C,46,102.94,s,
O,47,,,
C,48,95.78,s,
O,49,,,
C,50,73.73,s,
O,51,,,
C,52,74.22,s,
O,53,,,
C,54,40.4,s,
C,55,178.17,s,
O,56,,,
O,57,,,
C,58,121.15,s,
Cl,59,,,
C,60,129.03,s,
H,61,3.42,s,
H,62,3.42,s,
H,63,3.42,s,
H,64,4.52,d,2.5
H,65,4.58,dq,"9.1,6.2"
H,66,1.37,d,6.2
H,67,1.37,d,6.2
H,68,1.37,d,6.2
H,69,2.65,dqd,"9.1,6.8,6.6"
H,70,1.05,d,6.8
H,71,1.05,d,6.8
H,72,1.05,d,6.8
H,73,5.92,d,6.6
H,74,1.75,s,
H,75,1.75,s,
H,76,1.75,s,
H,77,2.44,dd,"15.4,5.2"
H,78,2.44,dd,"15.4,13.1"
H,79,2.43,dqd,"13.1,6.7,5.2"
H,80,1.13,d,6.7
H,81,1.13,d,6.7
H,82,1.13,d,6.7
H,83,,,
H,84,4.33,q,6.5
H,85,1.72,d,6.5
H,86,1.72,d,6.5
H,87,1.72,d,6.5
H,88,2.91,s,
H,89,2.91,s,
H,90,2.91,s,
H,91,4.28,t,6.6
H,92,3.01,d,6.6
H,93,3.01,d,6.6
H,94,7.11,d,0.5
H,95,,,
H,96,7.34,ddd,"8.0,1.4,0.5"
H,97,7.14,ddd,"8.0,7.4,1.4"
H,98,7.01,ddd,"7.4,6.6,1.4"
H,99,7.57,ddt,"6.6,1.4,0.5"
H,100,,,
H,101,5.67,d,2.5
H,102,7.05,dd,"7.1,1.9"
H,103,6.96,dd,"7.1,0.5"
H,104,5.23,d,8.6
H,105,5.03,d,7.2
H,106,,,
H,107,3.87,dd,"7.2,5.5"
H,108,,,
H,109,4.19,dd,"7.9,5.5"
H,110,,,
H,111,2.83,dd,"8.6,7.9"
H,112,,,
H,113,7.57,dd,"1.9,0.5"
