{ "meta": { "disclaimer": "Do not rely on openFDA to make decisions regarding medical care. While we make every effort to ensure that data is accurate, you should assume all results are unvalidated. We may limit or otherwise restrict your access to the API in line with our Terms of Service.", "terms": "https://open.fda.gov/terms/", "license": "https://open.fda.gov/license/", "last_updated": "2025-09-19", "results": { "skip": 0, "limit": 1, "total": 1 } }, "results": [ { "polymer": { "uuid": "817a5c4a-9b47-42f2-93bc-1a32a2459af2", "classification": { "uuid": "f9905313-5d06-4324-940d-cbc6d2509232", "polymer_class": "COPOLYMER", "polymer_geometry": "LINEAR", "polymer_subclass": [ "RANDOM" ] }, "monomers": [ { "uuid": "16c86c80-7f3a-4fe6-ac47-9d74b3d0d397", "amount": { "uuid": "2dffd456-60b9-4529-9052-5118511777bb" }, "type": "MONOMER", "defining": false, "monomer_substance": { "uuid": "49e3098d-e869-40a6-bdd5-c00f59b47178", "refuuid": "a260d322-def8-44e3-9ffd-990df20eaaec", "name": ".BETA.-D-GLUCOURONIC ACID", "linking_id": "00A9JB14O6", "ref_pname": ".BETA.-D-GLUCOURONIC ACID", "substance_class": "reference", "unii": "00A9JB14O6" } }, { "uuid": "36d5d562-f3bc-43c4-a652-489d56e77e07", "defining": false, "monomer_substance": { "uuid": "707ebb0d-7575-4edd-ba41-8671b93142a0", "refuuid": "282a21cd-13e3-4f3b-8f29-ed3ef49e1e1c", "name": ".ALPHA.-GLUCOSAMINE, D-", "linking_id": "S3BL0640UV", "ref_pname": ".ALPHA.-GLUCOSAMINE, D-", "substance_class": "reference", "unii": "S3BL0640UV" } }, { "uuid": "9a9f8632-20e8-49ac-b479-7d59674c1cdf", "defining": false, "monomer_substance": { "uuid": "340b4d31-020a-4699-a1e3-af9f61346942", "refuuid": "c33df588-005c-4e0b-8533-4d39b66a7d92", "name": ".ALPHA.-L-IDOPYRANOSYLURONIC ACID", "linking_id": "E850Z98K7Y", "ref_pname": ".ALPHA.-L-IDOPYRANOSYLURONIC ACID", "substance_class": "reference", "unii": "E850Z98K7Y" } } ], "references": [ "4d77d7ba-4e1b-437a-b02a-fd64b33a2867", "7c477edd-79f7-44fa-a6f7-0529b9bccd08", "d76b7fa2-61dd-4e22-8476-b6732c4c5328" ], "display_structure": { "id": "6ef8ed98-ee70-4a5d-bf67-cd8949914b02", "molfile": "\n Symyx 04271719522D 1 1.00000 0.00000 0\n\n 0 0 0 0 0 999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 119 116 9 0 0\nM V30 BEGIN ATOM\nM V30 1 C 14.4321 -3.83029 0 0\nM V30 2 C 14.313 -3.36376 0 0\nM V30 3 O 14.6502 -3.01916 0 0\nM V30 4 N 13.8492 -3.24117 0 0\nM V30 5 C 13.5714 -2.84031 0 0 CFG=3\nM V30 6 C 13.0463 -2.84031 0 0 CFG=1\nM V30 7 O 12.7745 -3.24124 0 0\nM V30 8 * 13.0463 -3.65737 0 0\nM V30 9 C 12.7757 -2.41823 0 0 CFG=2\nM V30 10 H 12.5051 -2.84031 0 0\nM V30 11 O 12.238 -2.41823 0 0\nM V30 12 C 11.6955 -2.41823 0 0 CFG=1\nM V30 13 C 11.4295 -2.8339 0 0 CFG=1\nM V30 14 C 10.8904 -2.8339 0 0 CFG=2\nM V30 15 C 10.621 -2.41832 0 0 CFG=1\nM V30 16 H 10.3574 -2.83286 0 0\nM V30 17 C 10.89 -2.01373 0 0 CFG=2\nM V30 18 O 11.4248 -2.01373 0 0\nM V30 19 C 10.6213 -1.60372 0 0\nM V30 20 O 10.0891 -1.60372 0 0\nM V30 21 O 10.8924 -1.19594 0 0\nM V30 22 * 8.99917 -2.41832 0 0\nM V30 23 O 10.6193 -3.24057 0 0\nM V30 24 O 11.6963 -3.24041 0 0\nM V30 25 * 11.4411 -3.65734 0 0\nM V30 26 C 13.0464 -2.01898 0 0 CFG=2\nM V30 27 O 13.5792 -2.01898 0 0\nM V30 28 C 13.8436 -2.42612 0 0 CFG=1\nM V30 29 O 14.387 -2.42612 0 0\nM V30 30 * 16.0058 -2.42612 0 0\nM V30 31 C 12.7757 -1.60372 0 0\nM V30 32 O 13.0463 -1.19657 0 0\nM V30 33 * 12.7757 -0.794138 0 0\nM V30 34 O 12.6453 -4.82221 0 0 CHG=-1\nM V30 35 S 12.1127 -4.82221 0 0 CFG=3\nM V30 36 O 12.1127 -5.29341 0 0\nM V30 37 O 12.1127 -4.35263 0 0\nM V30 38 * 11.5615 -4.82221 0 0\nM V30 39 * 12.0414 -13.5242 0 0\nM V30 40 O 12.3027 -13.1115 0 0\nM V30 41 C 12.033 -12.705 0 0 CFG=1\nM V30 42 C 12.3 -12.2913 0 0 CFG=1\nM V30 43 O 12.0312 -11.8877 0 0\nM V30 44 C 11.4965 -11.8877 0 0 CFG=2\nM V30 45 C 11.2306 -11.4756 0 0\nM V30 46 O 10.6926 -11.4756 0 0\nM V30 47 O 11.4989 -11.0718 0 0\nM V30 48 C 11.2302 -12.2914 0 0 CFG=1\nM V30 49 * 9.60558 -12.2914 0 0\nM V30 50 C 11.4968 -12.705 0 0 CFG=2\nM V30 51 O 11.2244 -13.1117 0 0\nM V30 52 H 10.9625 -12.6998 0 0\nM V30 53 O 12.8425 -12.2913 0 0\nM V30 54 C 13.382 -12.2913 0 0 CFG=1\nM V30 55 C 13.6494 -12.7052 0 0 CFG=2\nM V30 56 O 13.381 -13.1123 0 0\nM V30 57 * 13.6494 -13.5243 0 0\nM V30 58 C 14.1779 -12.7052 0 0 CFG=3\nM V30 59 N 14.4508 -13.1124 0 0\nM V30 60 S 14.9847 -13.1124 0 0 CFG=3\nM V30 61 O 15.2543 -13.5251 0 0 CHG=-1\nM V30 62 O 15.4457 -12.8756 0 0\nM V30 63 O 14.9847 -12.6358 0 0\nM V30 64 C 14.4501 -12.2959 0 0 CFG=2\nM V30 65 O 14.9922 -12.2959 0 0\nM V30 66 * 16.6122 -12.2959 0 0\nM V30 67 O 14.1856 -11.8888 0 0\nM V30 68 C 13.6516 -11.8888 0 0 CFG=2\nM V30 69 C 13.382 -11.4756 0 0\nM V30 70 O 13.6494 -11.0683 0 0\nM V30 71 * 13.382 -10.6611 0 0\nM V30 72 H 13.1102 -12.7052 0 0\nM V30 73 O 13.2468 -14.692 0 0 CHG=-1\nM V30 74 S 12.7131 -14.692 0 0 CFG=3\nM V30 75 O 12.7131 -15.1661 0 0\nM V30 76 O 12.7131 -14.2176 0 0\nM V30 77 * 12.1679 -14.692 0 0\nM V30 78 * -0.274316 -6.83749 0 0\nM V30 79 O -0.0162547 -6.4267 0 0\nM V30 80 C -0.286764 -6.02018 0 0 CFG=2\nM V30 81 C -0.826116 -6.02018 0 0 CFG=1\nM V30 82 O -1.09341 -6.42685 0 0\nM V30 83 C -1.08914 -5.60461 0 0 CFG=2\nM V30 84 * -2.71602 -5.60461 0 0\nM V30 85 H -1.35321 -6.01302 0 0\nM V30 86 C -0.825769 -5.19806 0 0 CFG=2\nM V30 87 C -1.08949 -4.79012 0 0\nM V30 88 O -1.62786 -4.79012 0 0\nM V30 89 O -0.81815 -4.38349 0 0\nM V30 90 O -0.293061 -5.19806 0 0\nM V30 91 C -0.016981 -5.60451 0 0 CFG=1\nM V30 92 O 0.522629 -5.60451 0 0\nM V30 93 C 1.0651 -5.60451 0 0 CFG=1\nM V30 94 C 1.33379 -6.02178 0 0 CFG=1\nM V30 95 C 1.86218 -6.02178 0 0 CFG=3\nM V30 96 C 2.1331 -5.60955 0 0 CFG=2\nM V30 97 O 2.67452 -5.60955 0 0\nM V30 98 * 4.2904 -5.60955 0 0\nM V30 99 O 1.86382 -5.20526 0 0\nM V30 100 C 1.33396 -5.20526 0 0 CFG=2\nM V30 101 C 1.0651 -4.79012 0 0\nM V30 102 O 1.33379 -4.38154 0 0\nM V30 103 * 1.0651 -3.97567 0 0\nM V30 104 N 1.97886 -6.45653 0 0\nM V30 105 S 2.55007 -6.79808 0 0 CFG=3\nM V30 106 O 2.70586 -7.39849 0 0 CHG=-1\nM V30 107 O 3.22071 -6.3193 0 0\nM V30 108 O 2.55007 -6.01172 0 0\nM V30 109 O 1.06203 -6.42751 0 0\nM V30 110 * 1.33379 -6.84365 0 0\nM V30 111 H 0.794519 -6.02178 0 0\nM V30 112 O 0.929869 -8.00654 0 0 CHG=-1\nM V30 113 S 0.400258 -8.00654 0 0 CFG=3\nM V30 114 O 0.400258 -8.47969 0 0\nM V30 115 O 0.400258 -7.52993 0 0\nM V30 116 * -0.151005 -8.00654 0 0\nM V30 117 Na 9.65079 -5.7698 0 0 CHG=1\nM V30 118 Na 3.40143 -8.02324 0 0 CHG=1\nM V30 119 Na 10.0499 -14.5909 0 0 CHG=1\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 14 13\nM V30 2 1 15 14\nM V30 3 1 15 16 CFG=1\nM V30 4 1 17 15\nM V30 5 1 18 17\nM V30 6 1 12 18\nM V30 7 1 17 19 CFG=1\nM V30 8 1 40 39\nM V30 9 1 41 40 CFG=3\nM V30 10 1 42 41\nM V30 11 1 42 43\nM V30 12 1 43 44\nM V30 13 1 44 45 CFG=1\nM V30 14 2 45 46\nM V30 15 1 45 47\nM V30 16 1 44 48\nM V30 17 1 48 49\nM V30 18 1 48 50\nM V30 19 1 50 51 CFG=1\nM V30 20 1 50 41\nM V30 21 1 48 52 CFG=1\nM V30 22 1 42 53 CFG=1\nM V30 23 1 54 53\nM V30 24 1 54 55\nM V30 25 1 55 56 CFG=1\nM V30 26 1 56 57\nM V30 27 1 55 58\nM V30 28 1 58 59\nM V30 29 1 59 60\nM V30 30 1 60 61\nM V30 31 2 60 62\nM V30 32 2 60 63\nM V30 33 1 58 64\nM V30 34 1 64 65 CFG=1\nM V30 35 1 65 66\nM V30 36 1 64 67\nM V30 37 1 67 68\nM V30 38 1 68 69 CFG=1\nM V30 39 1 69 70\nM V30 40 1 70 71\nM V30 41 1 54 68\nM V30 42 1 54 72 CFG=1\nM V30 43 1 74 73\nM V30 44 2 74 75\nM V30 45 2 74 76\nM V30 46 1 77 74\nM V30 47 2 19 20\nM V30 48 1 19 21\nM V30 49 1 15 22\nM V30 50 1 14 23 CFG=1\nM V30 51 1 13 24 CFG=3\nM V30 52 1 24 25\nM V30 53 1 9 26\nM V30 54 1 27 26\nM V30 55 1 28 27\nM V30 56 1 28 29 CFG=1\nM V30 57 1 29 30\nM V30 58 1 5 28\nM V30 59 1 26 31 CFG=1\nM V30 60 1 31 32\nM V30 61 1 32 33\nM V30 62 1 35 34\nM V30 63 2 35 36\nM V30 64 2 35 37\nM V30 65 1 38 35\nM V30 66 1 2 1\nM V30 67 2 2 3\nM V30 68 1 4 2\nM V30 69 1 5 4\nM V30 70 1 6 5\nM V30 71 1 6 7 CFG=1\nM V30 72 1 7 8\nM V30 73 1 9 6\nM V30 74 1 9 10 CFG=1\nM V30 75 1 79 78\nM V30 76 1 80 79 CFG=3\nM V30 77 1 81 80\nM V30 78 1 81 82 CFG=1\nM V30 79 1 83 81\nM V30 80 1 83 84\nM V30 81 1 83 85 CFG=1\nM V30 82 1 86 83\nM V30 83 1 86 87 CFG=3\nM V30 84 2 87 88\nM V30 85 1 87 89\nM V30 86 1 90 86\nM V30 87 1 91 90\nM V30 88 1 91 80\nM V30 89 1 91 92 CFG=1\nM V30 90 1 93 92\nM V30 91 1 93 94\nM V30 92 1 94 95\nM V30 93 1 95 96\nM V30 94 1 96 97 CFG=1\nM V30 95 1 97 98\nM V30 96 1 96 99\nM V30 97 1 99 100\nM V30 98 1 93 100\nM V30 99 1 100 101 CFG=1\nM V30 100 1 101 102\nM V30 101 1 102 103\nM V30 102 1 95 104\nM V30 103 1 104 105\nM V30 104 1 105 106\nM V30 105 2 105 107\nM V30 106 2 105 108\nM V30 107 1 94 109 CFG=1\nM V30 108 1 109 110\nM V30 109 1 93 111 CFG=1\nM V30 110 1 113 112\nM V30 111 2 113 114\nM V30 112 2 113 115\nM V30 113 1 116 113\nM V30 114 1 9 11\nM V30 115 1 12 11 CFG=1\nM V30 116 1 12 13\nM V30 END BOND\nM V30 BEGIN SGROUP\nM V30 1 SRU 1 ATOMS=(31 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 -\nM V30 23 24 25 26 27 28 29 31 32 33) XBONDS=(2 49 57) BRKXYZ=(9 9.81 -3.95 0 -\nM V30 9.81 -1.64 0 0 0 0) BRKXYZ=(9 15.22 -1.5 0 15.22 -3.7 0 0 0 0) -\nM V30 CONNECT=HT LABEL=N\nM V30 2 GEN 2 ATOMS=(39 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 -\nM V30 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77) -\nM V30 BRKXYZ=(9 9.02 -15.88 0 9.02 -10.11 0 0 0 0) BRKXYZ=(9 16.76 -10.11 0 -\nM V30 16.76 -15.88 0 0 0 0)\nM V30 3 GEN 3 ATOMS=(5 73 74 75 76 77) BRKXYZ=(9 11.56 -15.4 0 11.56 -13.7 0 -\nM V30 0 0 0) BRKXYZ=(9 14.57 -13.7 0 14.57 -15.4 0 0 0 0)\nM V30 4 SRU 4 ATOMS=(32 39 40 41 42 43 44 45 46 47 48 50 51 52 53 54 55 56 57 -\nM V30 58 59 60 61 62 63 64 65 67 68 69 70 71 72) XBONDS=(2 17 35) BRKXYZ=(9 -\nM V30 10.38 -13.82 0 10.38 -11.5 0 0 0 0) BRKXYZ=(9 15.83 -11.37 0 15.83 -\nM V30 -13.56 0 0 0 0) CONNECT=HT LABEL=N\nM V30 5 GEN 5 ATOMS=(5 34 35 36 37 38) BRKXYZ=(9 10.95 -5.55 0 10.95 -3.81 0 -\nM V30 0 0 0) BRKXYZ=(9 13.94 -3.81 0 13.94 -5.55 0 0 0 0)\nM V30 6 GEN 6 ATOMS=(38 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 -\nM V30 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38) BRKXYZ=(9 8.45 -6.6 -\nM V30 0 8.45 -0.2 0 0 0 0) BRKXYZ=(9 16.47 -0.2 0 16.47 -6.6 0 0 0 0)\nM V30 7 GEN 7 ATOMS=(39 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 -\nM V30 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 -\nM V30 115 116) BRKXYZ=(9 -3.28 -9.68 0 -3.28 -3.35 0 0 0 0) BRKXYZ=(9 4.74 -\nM V30 -3.35 0 4.74 -9.68 0 0 0 0)\nM V30 8 SRU 8 ATOMS=(32 78 79 80 81 82 83 85 86 87 88 89 90 91 92 93 94 95 96 -\nM V30 97 99 100 101 102 103 104 105 106 107 108 109 110 111) XBONDS=(2 80 95) -\nM V30 BRKXYZ=(9 -1.88 -7.12 0 -1.88 -4.8 0 0 0 0) BRKXYZ=(9 3.52 -4.68 0 3.52 -\nM V30 -6.87 0 0 0 0) CONNECT=HT LABEL=N\nM V30 9 GEN 9 ATOMS=(5 112 113 114 115 116) BRKXYZ=(9 -0.73 -8.75 0 -0.73 -7 -\nM V30 0 0 0 0) BRKXYZ=(9 2.25 -7 0 2.25 -8.75 0 0 0 0)\nM V30 END SGROUP\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STERAC1 ATOMS=(9 41 42 44 48 50 54 55 64 68)\nM V30 MDLV30/STERAC3 ATOMS=(9 6 9 12 13 14 15 17 26 28)\nM V30 MDLV30/STERAC2 ATOMS=(9 80 81 83 86 91 93 94 96 100)\nM V30 END COLLECTION\nM V30 END CTAB\nM END", "atropisomerism": "No", "charge": -2, "count": 1, "defined_stereo": 30, "ez_centers": 0, "molecular_weight": 1512.0816, "stereo_centers": 30 }, "idealized_structure": { "id": "2fc07eb6-605d-4894-80bf-344cdc526ce8", "molfile": "\n Symyx 04271719522D 1 1.00000 0.00000 0\n\n 0 0 0 0 0 999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 119 116 9 0 0\nM V30 BEGIN ATOM\nM V30 1 C 14.4321 -3.83029 0 0\nM V30 2 C 14.313 -3.36376 0 0\nM V30 3 O 14.6502 -3.01916 0 0\nM V30 4 N 13.8492 -3.24117 0 0\nM V30 5 C 13.5714 -2.84031 0 0 CFG=3\nM V30 6 C 13.0463 -2.84031 0 0 CFG=1\nM V30 7 O 12.7745 -3.24124 0 0\nM V30 8 * 13.0463 -3.65737 0 0\nM V30 9 C 12.7757 -2.41823 0 0 CFG=2\nM V30 10 H 12.5051 -2.84031 0 0\nM V30 11 O 12.238 -2.41823 0 0\nM V30 12 C 11.6955 -2.41823 0 0 CFG=1\nM V30 13 C 11.4295 -2.8339 0 0 CFG=1\nM V30 14 C 10.8904 -2.8339 0 0 CFG=2\nM V30 15 C 10.621 -2.41832 0 0 CFG=1\nM V30 16 H 10.3574 -2.83286 0 0\nM V30 17 C 10.89 -2.01373 0 0 CFG=2\nM V30 18 O 11.4248 -2.01373 0 0\nM V30 19 C 10.6213 -1.60372 0 0\nM V30 20 O 10.0891 -1.60372 0 0\nM V30 21 O 10.8924 -1.19594 0 0\nM V30 22 * 8.99917 -2.41832 0 0\nM V30 23 O 10.6193 -3.24057 0 0\nM V30 24 O 11.6963 -3.24041 0 0\nM V30 25 * 11.4411 -3.65734 0 0\nM V30 26 C 13.0464 -2.01898 0 0 CFG=2\nM V30 27 O 13.5792 -2.01898 0 0\nM V30 28 C 13.8436 -2.42612 0 0 CFG=1\nM V30 29 O 14.387 -2.42612 0 0\nM V30 30 * 16.0058 -2.42612 0 0\nM V30 31 C 12.7757 -1.60372 0 0\nM V30 32 O 13.0463 -1.19657 0 0\nM V30 33 * 12.7757 -0.794138 0 0\nM V30 34 O 12.6453 -4.82221 0 0 CHG=-1\nM V30 35 S 12.1127 -4.82221 0 0 CFG=3\nM V30 36 O 12.1127 -5.29341 0 0\nM V30 37 O 12.1127 -4.35263 0 0\nM V30 38 * 11.5615 -4.82221 0 0\nM V30 39 * 12.0414 -13.5242 0 0\nM V30 40 O 12.3027 -13.1115 0 0\nM V30 41 C 12.033 -12.705 0 0 CFG=1\nM V30 42 C 12.3 -12.2913 0 0 CFG=1\nM V30 43 O 12.0312 -11.8877 0 0\nM V30 44 C 11.4965 -11.8877 0 0 CFG=2\nM V30 45 C 11.2306 -11.4756 0 0\nM V30 46 O 10.6926 -11.4756 0 0\nM V30 47 O 11.4989 -11.0718 0 0\nM V30 48 C 11.2302 -12.2914 0 0 CFG=1\nM V30 49 * 9.60558 -12.2914 0 0\nM V30 50 C 11.4968 -12.705 0 0 CFG=2\nM V30 51 O 11.2244 -13.1117 0 0\nM V30 52 H 10.9625 -12.6998 0 0\nM V30 53 O 12.8425 -12.2913 0 0\nM V30 54 C 13.382 -12.2913 0 0 CFG=1\nM V30 55 C 13.6494 -12.7052 0 0 CFG=2\nM V30 56 O 13.381 -13.1123 0 0\nM V30 57 * 13.6494 -13.5243 0 0\nM V30 58 C 14.1779 -12.7052 0 0 CFG=3\nM V30 59 N 14.4508 -13.1124 0 0\nM V30 60 S 14.9847 -13.1124 0 0 CFG=3\nM V30 61 O 15.2543 -13.5251 0 0 CHG=-1\nM V30 62 O 15.4457 -12.8756 0 0\nM V30 63 O 14.9847 -12.6358 0 0\nM V30 64 C 14.4501 -12.2959 0 0 CFG=2\nM V30 65 O 14.9922 -12.2959 0 0\nM V30 66 * 16.6122 -12.2959 0 0\nM V30 67 O 14.1856 -11.8888 0 0\nM V30 68 C 13.6516 -11.8888 0 0 CFG=2\nM V30 69 C 13.382 -11.4756 0 0\nM V30 70 O 13.6494 -11.0683 0 0\nM V30 71 * 13.382 -10.6611 0 0\nM V30 72 H 13.1102 -12.7052 0 0\nM V30 73 O 13.2468 -14.692 0 0 CHG=-1\nM V30 74 S 12.7131 -14.692 0 0 CFG=3\nM V30 75 O 12.7131 -15.1661 0 0\nM V30 76 O 12.7131 -14.2176 0 0\nM V30 77 * 12.1679 -14.692 0 0\nM V30 78 * -0.274316 -6.83749 0 0\nM V30 79 O -0.0162547 -6.4267 0 0\nM V30 80 C -0.286764 -6.02018 0 0 CFG=2\nM V30 81 C -0.826116 -6.02018 0 0 CFG=1\nM V30 82 O -1.09341 -6.42685 0 0\nM V30 83 C -1.08914 -5.60461 0 0 CFG=2\nM V30 84 * -2.71602 -5.60461 0 0\nM V30 85 H -1.35321 -6.01302 0 0\nM V30 86 C -0.825769 -5.19806 0 0 CFG=2\nM V30 87 C -1.08949 -4.79012 0 0\nM V30 88 O -1.62786 -4.79012 0 0\nM V30 89 O -0.81815 -4.38349 0 0\nM V30 90 O -0.293061 -5.19806 0 0\nM V30 91 C -0.016981 -5.60451 0 0 CFG=1\nM V30 92 O 0.522629 -5.60451 0 0\nM V30 93 C 1.0651 -5.60451 0 0 CFG=1\nM V30 94 C 1.33379 -6.02178 0 0 CFG=1\nM V30 95 C 1.86218 -6.02178 0 0 CFG=3\nM V30 96 C 2.1331 -5.60955 0 0 CFG=2\nM V30 97 O 2.67452 -5.60955 0 0\nM V30 98 * 4.2904 -5.60955 0 0\nM V30 99 O 1.86382 -5.20526 0 0\nM V30 100 C 1.33396 -5.20526 0 0 CFG=2\nM V30 101 C 1.0651 -4.79012 0 0\nM V30 102 O 1.33379 -4.38154 0 0\nM V30 103 * 1.0651 -3.97567 0 0\nM V30 104 N 1.97886 -6.45653 0 0\nM V30 105 S 2.55007 -6.79808 0 0 CFG=3\nM V30 106 O 2.70586 -7.39849 0 0 CHG=-1\nM V30 107 O 3.22071 -6.3193 0 0\nM V30 108 O 2.55007 -6.01172 0 0\nM V30 109 O 1.06203 -6.42751 0 0\nM V30 110 * 1.33379 -6.84365 0 0\nM V30 111 H 0.794519 -6.02178 0 0\nM V30 112 O 0.929869 -8.00654 0 0 CHG=-1\nM V30 113 S 0.400258 -8.00654 0 0 CFG=3\nM V30 114 O 0.400258 -8.47969 0 0\nM V30 115 O 0.400258 -7.52993 0 0\nM V30 116 * -0.151005 -8.00654 0 0\nM V30 117 Na 9.65079 -5.7698 0 0 CHG=1\nM V30 118 Na 3.40143 -8.02324 0 0 CHG=1\nM V30 119 Na 10.0499 -14.5909 0 0 CHG=1\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 14 13\nM V30 2 1 15 14\nM V30 3 1 15 16 CFG=1\nM V30 4 1 17 15\nM V30 5 1 18 17\nM V30 6 1 12 18\nM V30 7 1 17 19 CFG=1\nM V30 8 1 40 39\nM V30 9 1 41 40 CFG=3\nM V30 10 1 42 41\nM V30 11 1 42 43\nM V30 12 1 43 44\nM V30 13 1 44 45 CFG=1\nM V30 14 2 45 46\nM V30 15 1 45 47\nM V30 16 1 44 48\nM V30 17 1 48 49\nM V30 18 1 48 50\nM V30 19 1 50 51 CFG=1\nM V30 20 1 50 41\nM V30 21 1 48 52 CFG=1\nM V30 22 1 42 53 CFG=1\nM V30 23 1 54 53\nM V30 24 1 54 55\nM V30 25 1 55 56 CFG=1\nM V30 26 1 56 57\nM V30 27 1 55 58\nM V30 28 1 58 59\nM V30 29 1 59 60\nM V30 30 1 60 61\nM V30 31 2 60 62\nM V30 32 2 60 63\nM V30 33 1 58 64\nM V30 34 1 64 65 CFG=1\nM V30 35 1 65 66\nM V30 36 1 64 67\nM V30 37 1 67 68\nM V30 38 1 68 69 CFG=1\nM V30 39 1 69 70\nM V30 40 1 70 71\nM V30 41 1 54 68\nM V30 42 1 54 72 CFG=1\nM V30 43 1 74 73\nM V30 44 2 74 75\nM V30 45 2 74 76\nM V30 46 1 77 74\nM V30 47 2 19 20\nM V30 48 1 19 21\nM V30 49 1 15 22\nM V30 50 1 14 23 CFG=1\nM V30 51 1 13 24 CFG=3\nM V30 52 1 24 25\nM V30 53 1 9 26\nM V30 54 1 27 26\nM V30 55 1 28 27\nM V30 56 1 28 29 CFG=1\nM V30 57 1 29 30\nM V30 58 1 5 28\nM V30 59 1 26 31 CFG=1\nM V30 60 1 31 32\nM V30 61 1 32 33\nM V30 62 1 35 34\nM V30 63 2 35 36\nM V30 64 2 35 37\nM V30 65 1 38 35\nM V30 66 1 2 1\nM V30 67 2 2 3\nM V30 68 1 4 2\nM V30 69 1 5 4\nM V30 70 1 6 5\nM V30 71 1 6 7 CFG=1\nM V30 72 1 7 8\nM V30 73 1 9 6\nM V30 74 1 9 10 CFG=1\nM V30 75 1 79 78\nM V30 76 1 80 79 CFG=3\nM V30 77 1 81 80\nM V30 78 1 81 82 CFG=1\nM V30 79 1 83 81\nM V30 80 1 83 84\nM V30 81 1 83 85 CFG=1\nM V30 82 1 86 83\nM V30 83 1 86 87 CFG=3\nM V30 84 2 87 88\nM V30 85 1 87 89\nM V30 86 1 90 86\nM V30 87 1 91 90\nM V30 88 1 91 80\nM V30 89 1 91 92 CFG=1\nM V30 90 1 93 92\nM V30 91 1 93 94\nM V30 92 1 94 95\nM V30 93 1 95 96\nM V30 94 1 96 97 CFG=1\nM V30 95 1 97 98\nM V30 96 1 96 99\nM V30 97 1 99 100\nM V30 98 1 93 100\nM V30 99 1 100 101 CFG=1\nM V30 100 1 101 102\nM V30 101 1 102 103\nM V30 102 1 95 104\nM V30 103 1 104 105\nM V30 104 1 105 106\nM V30 105 2 105 107\nM V30 106 2 105 108\nM V30 107 1 94 109 CFG=1\nM V30 108 1 109 110\nM V30 109 1 93 111 CFG=1\nM V30 110 1 113 112\nM V30 111 2 113 114\nM V30 112 2 113 115\nM V30 113 1 116 113\nM V30 114 1 9 11\nM V30 115 1 12 11 CFG=1\nM V30 116 1 12 13\nM V30 END BOND\nM V30 BEGIN SGROUP\nM V30 1 SRU 1 ATOMS=(31 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 -\nM V30 23 24 25 26 27 28 29 31 32 33) XBONDS=(2 49 57) BRKXYZ=(9 9.81 -3.95 0 -\nM V30 9.81 -1.64 0 0 0 0) BRKXYZ=(9 15.22 -1.5 0 15.22 -3.7 0 0 0 0) -\nM V30 CONNECT=HT LABEL=N\nM V30 2 GEN 2 ATOMS=(39 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 -\nM V30 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77) -\nM V30 BRKXYZ=(9 9.02 -15.88 0 9.02 -10.11 0 0 0 0) BRKXYZ=(9 16.76 -10.11 0 -\nM V30 16.76 -15.88 0 0 0 0)\nM V30 3 GEN 3 ATOMS=(5 73 74 75 76 77) BRKXYZ=(9 11.56 -15.4 0 11.56 -13.7 0 -\nM V30 0 0 0) BRKXYZ=(9 14.57 -13.7 0 14.57 -15.4 0 0 0 0)\nM V30 4 SRU 4 ATOMS=(32 39 40 41 42 43 44 45 46 47 48 50 51 52 53 54 55 56 57 -\nM V30 58 59 60 61 62 63 64 65 67 68 69 70 71 72) XBONDS=(2 17 35) BRKXYZ=(9 -\nM V30 10.38 -13.82 0 10.38 -11.5 0 0 0 0) BRKXYZ=(9 15.83 -11.37 0 15.83 -\nM V30 -13.56 0 0 0 0) CONNECT=HT LABEL=N\nM V30 5 GEN 5 ATOMS=(5 34 35 36 37 38) BRKXYZ=(9 10.95 -5.55 0 10.95 -3.81 0 -\nM V30 0 0 0) BRKXYZ=(9 13.94 -3.81 0 13.94 -5.55 0 0 0 0)\nM V30 6 GEN 6 ATOMS=(38 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 -\nM V30 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38) BRKXYZ=(9 8.45 -6.6 -\nM V30 0 8.45 -0.2 0 0 0 0) BRKXYZ=(9 16.47 -0.2 0 16.47 -6.6 0 0 0 0)\nM V30 7 GEN 7 ATOMS=(39 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 -\nM V30 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 -\nM V30 115 116) BRKXYZ=(9 -3.28 -9.68 0 -3.28 -3.35 0 0 0 0) BRKXYZ=(9 4.74 -\nM V30 -3.35 0 4.74 -9.68 0 0 0 0)\nM V30 8 SRU 8 ATOMS=(32 78 79 80 81 82 83 85 86 87 88 89 90 91 92 93 94 95 96 -\nM V30 97 99 100 101 102 103 104 105 106 107 108 109 110 111) XBONDS=(2 80 95) -\nM V30 BRKXYZ=(9 -1.88 -7.12 0 -1.88 -4.8 0 0 0 0) BRKXYZ=(9 3.52 -4.68 0 3.52 -\nM V30 -6.87 0 0 0 0) CONNECT=HT LABEL=N\nM V30 9 GEN 9 ATOMS=(5 112 113 114 115 116) BRKXYZ=(9 -0.73 -8.75 0 -0.73 -7 -\nM V30 0 0 0 0) BRKXYZ=(9 2.25 -7 0 2.25 -8.75 0 0 0 0)\nM V30 END SGROUP\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STERAC1 ATOMS=(9 41 42 44 48 50 54 55 64 68)\nM V30 MDLV30/STERAC3 ATOMS=(9 6 9 12 13 14 15 17 26 28)\nM V30 MDLV30/STERAC2 ATOMS=(9 80 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