C,1,23.79,s,
C,2,41.86,s,
C,3,35.28,s,
C,4,38.33,s,
C,5,199.7,s,
O,6,,,
C,7,121.8,s,
C,8,148.4,s,
O,9,,,
C,10,152.01,s,
C,11,130.1,s,
C,12,173.04,s,
O,13,,,
C,14,133.83,s,
C,15,127.72,s,
C,16,133.83,s,
C,17,133.83,s,
C,18,128.7,s,
C,19,146.19,s,
C,20,173.5,s,
O,21,,,
C,22,131.96,s,
C,23,145.66,s,
N,24,,,
C,25,46.21,s,
C,26,54.7,s,
S,27,,,
O,28,,,
O,29,,,
C,30,181.15,s,
O,31,,,
H,32,1.13,s,
H,33,1.13,s,
H,34,1.13,s,
H,35,1.72,ddd,"12.4,10.5,1.7"
H,36,1.72,ddd,"12.4,10.3,8.2"
H,37,2.67,ddd,"15.4,10.5,8.2"
H,38,2.67,ddd,"15.4,10.3,1.7"
H,39,7.37,s,
H,40,7.2,d,0.5
H,41,7.61,d,0.5
H,42,,,
H,43,3.25,ddd,"12.4,3.6,2.6"
H,44,3.25,ddd,"13.0,12.4,3.5"
H,45,2.96,ddd,"13.0,12.4,2.6"
H,46,2.96,ddd,"12.4,3.6,3.5"
