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1 parent 79129f5 commit aa9b9c8Copy full SHA for aa9b9c8
base/testdata/src/test/resources/data/inchi/guanine.inchi
@@ -1,5 +1,6 @@
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* Input_File: "E:\Program Files\INChI\inchi-samples\guanine.mol"
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Structure: 1
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-INChI=1.12Beta/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
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-AuxInfo=1.12Beta/1/N:11,6,8,5,1,4,9,10,3,2,7/rA:11CNNNCCOCNNC/rB:s1;d1;s1;s2;s5;d5;s3d6;s6;s8;s9d10;/rC:3.8747,-2.5396,0;3.8747,-1.7132,0;4.5771,-2.9115,0;3.1309,-2.9115,0;4.5771,-1.3,0;5.2382,-1.7132,0;4.5771,-.4737,0;5.2382,-2.5396,0;6.0646,-1.4653,0;6.0646,-2.7462,0;6.5191,-2.1264,0;
+InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
+AuxInfo=1/1/N:6,8,4,9,2,1,7,5,3,11,10/rA:11nNCNCNCNCCON/rB:s1;d2;s3;s4;s5;d6;d4s7;s8;d9;s2s9;/rC:2.7845,.6979,0;2.0701,1.1104,0;1.3556,.6979,0;.6411,1.1104,0;-.1435,.8555,0;-.6
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+284,1.5229,0;-.1435,2.1904,0;.6411,1.9354,0;1.3556,2.3479,0;1.3556,3.1729,0;2.0701,1.9354,0;
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