C,1,28.11,s,
N,2,,,
C,3,167.8,s,
O,4,,,
C,5,78.57,s,
S,6,,,
S,7,,,
C,8,80.76,s,
C,9,27.9,s,
C,10,165.39,s,
O,11,,,
N,12,,,
C,13,82.74,s,
N,14,,,
C,15,142.9,s,
C,16,115.48,s,
C,17,130.88,s,
C,18,122.44,s,
C,19,124.58,s,
C,20,134.28,s,
C,21,41.86,s,
C,22,41.86,s,
C,23,134.28,s,
C,24,124.58,s,
C,25,122.44,s,
C,26,130.88,s,
C,27,115.48,s,
C,28,142.9,s,
N,29,,,
C,30,82.74,s,
N,31,,,
C,32,165.39,s,
O,33,,,
C,34,80.76,s,
C,35,27.9,s,
S,36,,,
S,37,,,
C,38,78.57,s,
C,39,167.8,s,
O,40,,,
N,41,,,
C,42,28.11,s,
C,43,80.95,s,
O,44,,,
C,45,80.95,s,
O,46,,,
H,47,3.35,s,
H,48,3.35,s,
H,49,3.35,s,
H,50,1.67,s,
H,51,1.67,s,
H,52,1.67,s,
H,53,5.27,s,
H,54,,,
H,55,7.15,ddd,"9.2,1.4,0.5"
H,56,7.22,ddd,"9.2,6.8,1.4"
H,57,6.94,ddd,"9.4,6.8,1.4"
H,58,7.25,ddd,"9.4,1.4,0.5"
H,59,7.25,ddd,"8.2,1.4,0.5"
H,60,6.94,ddd,"8.2,6.4,1.4"
H,61,7.22,ddd,"8.3,6.4,1.4"
H,62,7.15,ddd,"8.3,1.4,0.5"
H,63,,,
H,64,5.27,s,
H,65,1.67,s,
H,66,1.67,s,
H,67,1.67,s,
H,68,3.35,s,
H,69,3.35,s,
H,70,3.35,s,
H,71,4.52,s,
H,72,,,
H,73,4.52,s,
H,74,,,
