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The Datafile PD-CD 5
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nat0024
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1997-02-09
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2KB
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32 lines
COMPND CITRAL
AUTHOR DAVE WOODCOCK 96 12 20
ATOM 1 C 1 3.008 0.594 -0.047
ATOM 2 C 1 1.763 -0.070 -0.048
ATOM 3 C 1 1.714 -1.616 -0.085
ATOM 4 C 1 0.495 0.796 -0.009
ATOM 5 C 1 -0.814 -0.009 -0.008
ATOM 6 C 1 -2.029 0.920 0.034
ATOM 7 C 1 -3.331 0.396 0.041
ATOM 8 C 1 -4.527 1.352 0.083
ATOM 9 C 1 -3.563 -1.120 0.008
ATOM 10 C 1 4.235 -0.089 -0.080
ATOM 11 O 1 5.404 0.619 -0.078
ATOM 12 H 1 3.001 1.674 -0.021
ATOM 13 H 1 2.246 -2.004 0.785
ATOM 14 H 1 2.225 -1.960 -0.986
ATOM 15 H 1 0.684 -1.963 -0.082
ATOM 16 H 1 0.492 1.449 -0.883
ATOM 17 H 1 0.518 1.409 0.892
ATOM 18 H 1 -0.832 -0.659 0.868
ATOM 19 H 1 -0.860 -0.616 -0.912
ATOM 20 H 1 -1.882 1.990 0.057
ATOM 21 H 1 -4.498 2.004 -0.791
ATOM 22 H 1 -4.471 1.960 0.986
ATOM 23 H 1 -5.458 0.785 0.083
ATOM 24 H 1 -3.093 -1.578 0.878
ATOM 25 H 1 -3.122 -1.535 -0.899
ATOM 26 H 1 -4.632 -1.330 0.020
ATOM 27 H 1 4.251 -1.168 -0.106
TER 28 1
END