C,1,13.91,s,
C,2,18.98,s,
C,3,29.71,s,
C,4,50.29,s,
N,5,,,
C,6,169.65,s,
O,7,,,
C,8,55.73,s,
N,9,,,
C,10,170.47,s,
C,11,22.71,s,
O,12,,,
C,13,72.05,s,
C,14,17.8,s,
O,15,,,
C,16,172.7,s,
O,17,,,
C,18,56.3,s,
C,19,30.8,s,
C,20,18.65,s,
C,21,18.65,s,
N,22,,,
C,23,169.5,s,
O,24,,,
C,25,60.9,s,
C,26,33.1,s,
C,27,127.7,s,
C,28,129.14,s,
C,29,113.66,s,
C,30,158.07,s,
O,31,,,
C,32,55.32,s,
C,33,113.66,s,
C,34,129.14,s,
N,35,,,
C,36,30.3,s,
C,37,171.67,s,
O,38,,,
C,39,58.57,s,
C,40,28.74,s,
C,41,24.42,s,
C,42,47.47,s,
N,43,,,
C,44,167.9,s,
O,45,,,
C,46,59.19,s,
C,47,28.57,s,
C,48,24.42,s,
C,49,47.76,s,
N,50,,,
C,51,170.44,s,
O,52,,,
H,53,0.9,t,7.0
H,54,0.9,t,7.0
H,55,0.9,t,7.0
H,56,1.31,qt,"7.0,6.6"
H,57,1.31,qt,"7.0,6.6"
H,58,1.84,td,"6.6,6.2"
H,59,1.84,td,"6.6,6.2"
H,60,4.62,dt,"7.0,6.2"
H,61,8.04,d,7.0
H,62,4.46,dd,"7.0,1.9"
H,63,7.4,d,7.0
H,64,1.91,s,
H,65,1.91,s,
H,66,1.91,s,
H,67,5.3,qd,"6.2,1.9"
H,68,1.13,d,6.2
H,69,1.13,d,6.2
H,70,1.13,d,6.2
H,71,4.7,dd,"7.0,5.5"
H,72,2.06,m,"6.4,5.5"
H,73,0.94,d,6.4
H,74,0.94,d,6.4
H,75,0.94,d,6.4
H,76,0.94,d,6.4
H,77,0.94,d,6.4
H,78,0.94,d,6.4
H,79,7.6,d,7.0
H,80,4.75,t,6.5
H,81,3.09,d,6.5
H,82,3.09,d,6.5
H,83,7.05,ddd,"8.3,1.9,0.5"
H,84,6.8,ddd,"8.3,1.9,0.5"
H,85,3.76,s,
H,86,3.76,s,
H,87,3.76,s,
H,88,6.8,ddd,"7.6,1.9,0.5"
H,89,7.05,ddd,"7.6,1.9,0.5"
H,90,2.68,s,
H,91,2.68,s,
H,92,2.68,s,
H,93,4.68,dd,"11.5,8.4"
H,94,1.9,m,
H,95,1.9,m,
H,96,2.22,m,
H,97,2.22,m,
H,98,3.7,ddd,"12.4,8.0,1.0"
H,99,3.7,ddd,"12.7,12.4,7.2"
H,100,4.39,dd,"8.7,1.1"
H,101,2.12,m,
H,102,2.12,m,
H,103,2.22,m,
H,104,2.22,m,
H,105,3.68,ddd,"12.4,6.6,1.1"
H,106,3.68,ddd,"12.5,12.4,8.2"
