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The Datafile PD-CD 5
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nat0022
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1997-02-09
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2KB
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36 lines
COMPND NEROL FORMATE
AUTHOR DAVE WOODCOCK 96 12 20
ATOM 1 C 1 2.959 -0.821 0.000
ATOM 2 C 1 2.975 0.708 -0.002
ATOM 3 C 1 1.784 1.456 0.001
ATOM 4 C 1 1.919 2.996 0.000
ATOM 5 C 1 0.429 0.739 0.004
ATOM 6 C 1 -0.779 1.682 0.001
ATOM 7 C 1 -2.096 0.905 0.002
ATOM 8 C 1 -3.329 1.577 0.002
ATOM 9 C 1 -4.626 0.765 0.001
ATOM 10 C 1 -3.382 3.107 0.001
ATOM 11 O 1 4.285 -1.318 0.002
ATOM 12 H 1 2.448 -1.186 -0.891
ATOM 13 H 1 2.441 -1.186 0.887
ATOM 14 H 1 3.920 1.233 -0.009
ATOM 15 H 1 2.502 3.274 -0.881
ATOM 16 H 1 2.504 3.274 0.880
ATOM 17 H 1 0.922 3.436 0.002
ATOM 18 H 1 0.368 0.108 0.891
ATOM 19 H 1 0.367 0.102 -0.879
ATOM 20 H 1 -0.734 2.330 -0.874
ATOM 21 H 1 -0.735 2.333 0.874
ATOM 22 H 1 -2.073 -0.175 0.002
ATOM 23 H 1 -4.656 0.134 0.890
ATOM 24 H 1 -4.656 0.134 -0.887
ATOM 25 H 1 -5.486 1.436 0.002
ATOM 26 H 1 -2.877 3.487 -0.887
ATOM 27 H 1 -2.879 3.488 0.890
ATOM 28 H 1 -4.419 3.441 0.000
ATOM 29 C 1 4.259 -2.727 0.004
ATOM 30 O 1 5.433 -3.434 0.006
ATOM 31 H 1 3.314 -3.250 0.004
TER 32 1
END