{
    "archetype": {
        "ID": "GS00047",
        "name": "LFucpa1-2DGalpb1-4[LFucpa1-3]DGlcpNAcb1-OH",
        "glycam": "LFucpa1-2DGalpb1-4[LFucpa1-3]DGlcpNAc",
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        "iupac_extended": "α-L-Fucp-(1→2)-β-D-Galp-(1→4)[α-L-Fucp-(1→3)]-D-GlcNAc",
        "glytoucan": "G04690JX",
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        "glycoct": "RES\n1b:b-dglc-HEX-1:5\n2s:n-acetyl\n3b:a-lgal-HEX-1:5|6:d\n4b:b-dgal-HEX-1:5\n5b:a-lgal-HEX-1:5|6:d\nLIN\n1:1d(2+1)2n\n2:1o(3+1)3d\n3:1o(4+1)4d\n4:4o(2+1)5d\n",
        "smiles": "O1C(O)[C@H](NC(C)=O)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]1CO",
        "oxford": null,
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        "motifs": [],
        "termini": [
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            "Gal": 1,
            "GlcNAc": 1
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        "composition": {
            "Hex": 1,
            "HexNAc": 1,
            "dHex": 2
        },
        "rot_bonds": 9,
        "hbond_donor": 12,
        "hbond_acceptor": 19,
        "entropy": 10.902937389438117,
        "clusters": {
            "Cluster 0": 31.41,
            "Cluster 1": 24.86,
            "Cluster 2": 21.04,
            "Cluster 3": 17.3,
            "Cluster 4": 5.39
        },
        "coverage_clusters": {
            "Cluster 0": 56.2844,
            "Cluster 1": 13.2987,
            "Cluster 2": 10.6189,
            "Cluster 3": 7.4326,
            "Cluster 4": 2.3898,
            "Cluster 5": 2.2364,
            "Cluster 6": 2.1964,
            "Cluster 7": 1.8831,
            "Cluster 8": 1.8631,
            "Cluster 9": 0.6866,
            "Cluster 10": 0.2766,
            "Cluster 11": 0.25,
            "Cluster 12": 0.19,
            "Cluster 13": 0.1567,
            "Cluster 14": 0.1567,
            "Cluster 15": 0.0433,
            "Cluster 16": 0.0367
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        "silhouette_scores": {
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            "5": 0.21904413595825625,
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            "4": [
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                11,
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                14
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            "explained_variance_ratio": [
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                0.02482613764448654
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            "cumulative_variance": [
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                0.279300275072441,
                0.32865946153572045,
                0.37150519978473495,
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            "n_components": 10
        },
        "length": 1.5,
        "package": "GROMACS",
        "forcefield": "GLYCAM_06j",
        "temperature": 300.0,
        "pressure": 1.0,
        "salt": "150"
    },
    "alpha": {
        "ID": "GS00047",
        "name": "LFucpa1-2DGalpb1-4[LFucpa1-3]DGlcpNAcb1-OH",
        "glycam": "LFucpa1-2DGalpb1-4[LFucpa1-3]DGlcpNAca1-OH",
        "iupac": "Fuc(a1-2)Gal(b1-4)[Fuc(a1-3)]GlcNAc(a1-",
        "iupac_extended": "α-L-Fucp-(1→2)-β-D-Galp-(1→4)[α-L-Fucp-(1→3)]-α-D-GlcpNAc-(1→",
        "glytoucan": "G82236PZ",
        "wurcs": "WURCS=2.0/3,4,3/[a2122h-1a_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3-2/a3-b1_a4-c1_c2-d1"
    },
    "beta": {
        "ID": "GS00047",
        "name": "LFucpa1-2DGalpb1-4[LFucpa1-3]DGlcpNAcb1-OH",
        "glycam": "LFucpa1-2DGalpb1-4[LFucpa1-3]DGlcpNAcb1-OH",
        "iupac": "Fuc(a1-2)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-",
        "iupac_extended": "α-L-Fucp-(1→2)-β-D-Galp-(1→4)[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→",
        "glytoucan": "G00052MO",
        "wurcs": "WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3-2/a3-b1_a4-c1_c2-d1"
    },
    "search_meta": {
        "common_names": [],
        "description": "",
        "keywords": []
    }
}