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The Datafile PD-CD 5
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al1121
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1996-12-01
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896b
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19 lines
COMPND BUTANOIC ACID, BUTYRIC ACID
AUTHOR DAVE WOODCOCK 96 11 18
ATOM 1 C 1 1.422 -0.017 0.000
ATOM 2 O 1 1.422 1.353 0.000
ATOM 3 O 1 2.643 -0.722 0.000
ATOM 4 C 1 0.100 -0.780 0.000
ATOM 5 C 1 -1.060 0.212 0.000
ATOM 6 C 1 -2.381 -0.551 0.000
ATOM 7 H 1 3.210 -0.461 0.882
ATOM 8 H 1 0.043 -1.407 0.890
ATOM 9 H 1 0.043 -1.407 -0.890
ATOM 10 H 1 -1.002 0.838 -0.890
ATOM 11 H 1 -1.002 0.838 0.890
ATOM 12 H 1 -2.439 -1.178 0.890
ATOM 13 H 1 -2.439 -1.178 -0.890
ATOM 14 H 1 -3.210 0.157 0.000
TER 15 1
END