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95 lines (95 loc) · 5.15 KB
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95 lines (95 loc) · 5.15 KB
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<molecule>
<atomArray>
<atom id="a1" elementType="C" x3="4.610115" y3="-3.991677" z3="1.300736"/>
<atom id="a2" elementType="H" x3="5.661015" y3="-3.782059" z3="1.585114"/>
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<atom id="a6" elementType="C" x3="3.758130" y3="1.927591" z3="-0.351744"/>
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<atom id="a8" elementType="C" x3="2.955316" y3="-0.176287" z3="-0.502906"/>
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<atom id="a13" elementType="N" x3="-0.731070" y3="2.076119" z3="-0.085933"/>
<atom id="a14" elementType="C" x3="-1.996356" y3="2.538575" z3="0.002552"/>
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<atom id="a20" elementType="C" x3="-4.096297" y3="-1.801171" z3="-0.063472"/>
<atom id="a21" elementType="C" x3="-4.440141" y3="-0.470134" z3="0.031060"/>
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<atom id="a24" elementType="C" x3="1.664950" y3="-2.342489" z3="-0.640615"/>
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<atom id="a29" elementType="C" x3="-2.647357" y3="-1.821781" z3="-0.197370"/>
<atom id="a30" elementType="H" x3="4.402568" y3="2.795640" z3="-0.311107"/>
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<atom id="a33" elementType="H" x3="-0.446854" y3="1.092385" z3="-0.150516"/>
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<atom id="a43" elementType="H" x3="-2.408501" y3="-3.889881" z3="-0.371907"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a1 a3" order="1"/>
<bond atomRefs2="a1 a4" order="1"/>
<bond atomRefs2="a1 a5" order="1"/>
<bond atomRefs2="a6 a7" order="2"/>
<bond atomRefs2="a7 a8" order="1"/>
<bond atomRefs2="a6 a9" order="1"/>
<bond atomRefs2="a9 a10" order="2"/>
<bond atomRefs2="a10 a8" order="1"/>
<bond atomRefs2="a9 a11" order="1"/>
<bond atomRefs2="a11 a12" order="2"/>
<bond atomRefs2="a12 a13" order="1"/>
<bond atomRefs2="a13 a14" order="1"/>
<bond atomRefs2="a12 a15" order="1"/>
<bond atomRefs2="a15 a16" order="2"/>
<bond atomRefs2="a16 a14" order="1"/>
<bond atomRefs2="a14 a17" order="2"/>
<bond atomRefs2="a17 a18" order="1"/>
<bond atomRefs2="a18 a19" order="2"/>
<bond atomRefs2="a20 a21" order="2"/>
<bond atomRefs2="a21 a18" order="1"/>
<bond atomRefs2="a22 a23" order="1"/>
<bond atomRefs2="a23 a24" order="1"/>
<bond atomRefs2="a24 a25" order="2"/>
<bond atomRefs2="a25 a26" order="1"/>
<bond atomRefs2="a26 a22" order="2"/>
<bond atomRefs2="a8 a27" order="2"/>
<bond atomRefs2="a27 a24" order="1"/>
<bond atomRefs2="a19 a29" order="1"/>
<bond atomRefs2="a29 a20" order="1"/>
<bond atomRefs2="a29 a28" order="2"/>
<bond atomRefs2="a28 a22" order="1"/>
<bond atomRefs2="a6 a30" order="1"/>
<bond atomRefs2="a7 a31" order="1"/>
<bond atomRefs2="a11 a32" order="1"/>
<bond atomRefs2="a13 a33" order="1"/>
<bond atomRefs2="a15 a34" order="1"/>
<bond atomRefs2="a16 a35" order="1"/>
<bond atomRefs2="a17 a36" order="1"/>
<bond atomRefs2="a20 a37" order="1"/>
<bond atomRefs2="a21 a38" order="1"/>
<bond atomRefs2="a23 a39" order="1"/>
<bond atomRefs2="a25 a40" order="1"/>
<bond atomRefs2="a26 a41" order="1"/>
<bond atomRefs2="a27 a42" order="1"/>
<bond atomRefs2="a28 a43" order="1"/>
</bondArray>
</molecule>