C,1,28.11,s,
N,2,,,
C,3,167.8,s,
O,4,,,
C,5,78.6,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,13,83.1,s,
N,14,,,
C,15,148.1,s,
C,16,110.57,s,
C,17,129.2,s,
C,18,119.68,s,
C,19,124.7,s,
C,20,132.0,s,
C,21,61.75,s,
C,22,113.95,s,
C,23,123.63,s,
N,24,,,
C,25,137.35,s,
C,26,111.72,s,
C,27,122.28,s,
C,28,119.88,s,
C,29,121.55,s,
C,30,126.57,s,
C,31,81.5,s,
O,32,,,
H,33,3.35,s,
H,34,3.35,s,
H,35,3.35,s,
H,36,1.67,s,
H,37,1.67,s,
H,38,1.67,s,
H,39,5.27,s,
H,40,,,
H,41,6.67,ddd,"7.4,1.4,0.5"
H,42,7.09,ddd,"8.4,7.4,1.4"
H,43,6.94,ddd,"9.1,8.4,1.4"
H,44,7.25,ddd,"9.1,1.4,0.5"
H,45,7.51,d,0.5
H,46,,,
H,47,7.38,ddd,"6.9,1.4,0.5"
H,48,7.14,ddd,"8.3,6.9,1.4"
H,49,7.15,ddd,"8.3,7.7,1.4"
H,50,8.02,ddt,"7.7,1.4,0.5"
H,51,4.52,s,
H,52,,,
