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The Datafile PD-CD 5
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al1122
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1996-12-01
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1KB
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24 lines
COMPND HEPT-1-YNE
AUTHOR DAVE WOODCOCK 96 11 18
ATOM 1 C 1 3.604 -0.539 -0.062
ATOM 2 C 1 2.536 0.007 -0.043
ATOM 3 C 1 1.177 0.702 -0.018
ATOM 4 C 1 0.069 -0.347 -0.023
ATOM 5 C 1 -1.289 0.347 0.002
ATOM 6 C 1 -2.397 -0.702 -0.002
ATOM 7 C 1 -3.756 -0.007 0.023
ATOM 8 H 1 4.547 -1.022 -0.080
ATOM 9 H 1 1.078 1.338 -0.898
ATOM 10 H 1 1.097 1.311 0.882
ATOM 11 H 1 0.168 -0.984 0.857
ATOM 12 H 1 0.149 -0.957 -0.923
ATOM 13 H 1 -1.388 0.984 -0.877
ATOM 14 H 1 -1.370 0.957 0.902
ATOM 15 H 1 -2.299 -1.338 0.877
ATOM 16 H 1 -2.317 -1.311 -0.902
ATOM 17 H 1 -3.855 0.629 -0.857
ATOM 18 H 1 -3.836 0.602 0.923
ATOM 19 H 1 -4.547 -0.757 0.019
TER 20 1
END