{"data":{"molfile":"\nActelion Java MolfileCreator 1.0\n\n 18 18  0  0  0  0  0  0  0  0999 V2000\n    3.3404   -2.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0106   -3.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6808   -2.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6808   -0.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0106    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3404   -0.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6702    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -0.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5053   -3.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0106   -4.8214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5159   -3.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5159   -0.4821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0106    0.9643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3452    1.1691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9952    1.1691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1691   -1.6393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6750    0.2048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6750   -2.1334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  1  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  1  9  1  0  0  0  0\n  2 10  1  0  0  0  0\n  3 11  1  0  0  0  0\n  4 12  1  0  0  0  0\n  5 13  1  0  0  0  0\n  7 14  1  1  0  0  0\n  7 15  1  0  0  0  0\n  8 16  1  0  0  0  0\n  8 17  1  0  0  0  0\n  8 18  1  0  0  0  0\nM  END\n","diaIDs":["daD@@DieZXBB@Ab@hOta@\\Jh","daD@@LdRTIT@E@@q@TGzP`NET","daD@@DiWRh@J@Ab@hOta@\\Jh","daD@@LdRTIT@E@@q@TGzP`NET","daD@@DieZXBB@Ab@hOta@\\Jh","daD@@DjUZxHH@Ab@hOta@\\Jh","daD@@DimVz`@@Ab@hOta@\\Jh","daD@@DeeVz`@@Ab@hOta@\\Jh","did@`@fTfYUn`HH@GzP`HeT","did@`@f\\bbRaih@J@A~dHBIU@","did@`@fTfUvf`@h@GzP`HeT","did@`@f\\bbRaih@J@A~dHBIU@","did@`@fTfYUn`HH@GzP`HeT","did@`@fTf[Waj@@bJ@_iB@bUP","did@`@fTf[Waj@@bJ@_iB@bUP","did@`@fTeYWaj@@@GzP`HeT","did@`@fTeYWaj@@@GzP`HeT","did@`@fTeYWaj@@@GzP`HeT"],"nucleus":"1H","signals":[{"id":"1d376c43-7849-4882-89b0-7a22bc7af74c","atoms":[9],"diaIDs":["did@`@f\\bbRaih@J@A~dHBIU@"],"nbAtoms":1,"delta":7.26,"js":[{"coupling":7.758,"atoms":[8],"diaIDs":["did@`@fTfYUn`HH@GzP`HeT"],"multiplicity":"d","pathLength":3},{"coupling":7.718,"atoms":[10],"diaIDs":["did@`@fTfUvf`@h@GzP`HeT"],"multiplicity":"d","pathLength":3},{"coupling":1.596,"atoms":[11],"diaIDs":["did@`@f\\bbRaih@J@A~dHBIU@"],"multiplicity":"d","pathLength":4},{"coupling":0.507,"atoms":[12],"diaIDs":["did@`@fTfYUn`HH@GzP`HeT"],"multiplicity":"d","pathLength":5}]},{"id":"376c4378-4948-4249-b07a-22bc7af74ca7","atoms":[10],"diaIDs":["did@`@fTfUvf`@h@GzP`HeT"],"nbAtoms":1,"delta":7.196,"js":[{"coupling":7.718,"atoms":[9],"diaIDs":["did@`@f\\bbRaih@J@A~dHBIU@"],"multiplicity":"d","pathLength":3},{"coupling":7.718,"atoms":[11],"diaIDs":["did@`@f\\bbRaih@J@A~dHBIU@"],"multiplicity":"d","pathLength":3},{"coupling":1.293,"atoms":[12],"diaIDs":["did@`@fTfYUn`HH@GzP`HeT"],"multiplicity":"d","pathLength":4},{"coupling":1.292,"atoms":[8],"diaIDs":["did@`@fTfYUn`HH@GzP`HeT"],"multiplicity":"d","pathLength":4}]},{"id":"6c437849-4882-49b0-ba22-bc7af74ca753","atoms":[8],"diaIDs":["did@`@fTfYUn`HH@GzP`HeT"],"nbAtoms":1,"delta":7.162,"js":[{"coupling":7.758,"atoms":[9],"diaIDs":["did@`@f\\bbRaih@J@A~dHBIU@"],"multiplicity":"d","pathLength":3},{"coupling":1.292,"atoms":[10],"diaIDs":["did@`@fTfUvf`@h@GzP`HeT"],"multiplicity":"d","pathLength":4},{"coupling":0.985,"atoms":[12],"diaIDs":["did@`@fTfYUn`HH@GzP`HeT"],"multiplicity":"d","pathLength":4},{"coupling":0.507,"atoms":[11],"diaIDs":["did@`@f\\bbRaih@J@A~dHBIU@"],"multiplicity":"d","pathLength":5}]},{"id":"43784948-8249-407a-a2bc-7af74ca75384","atoms":[14],"diaIDs":["did@`@fTf[Waj@@bJ@_iB@bUP"],"nbAtoms":1,"delta":2.653,"js":[{"coupling":7.392,"atoms":[15],"diaIDs":["did@`@fTeYWaj@@@GzP`HeT"],"multiplicity":"d","pathLength":3},{"coupling":7.392,"atoms":[16],"diaIDs":["did@`@fTeYWaj@@@GzP`HeT"],"multiplicity":"d","pathLength":3},{"coupling":7.392,"atoms":[17],"diaIDs":["did@`@fTeYWaj@@@GzP`HeT"],"multiplicity":"d","pathLength":3}]},{"id":"78494882-49b0-4a22-bc7a-f74ca75384de","atoms":[13],"diaIDs":["did@`@fTf[Waj@@bJ@_iB@bUP"],"nbAtoms":1,"delta":2.653,"js":[{"coupling":7.392,"atoms":[15],"diaIDs":["did@`@fTeYWaj@@@GzP`HeT"],"multiplicity":"d","pathLength":3},{"coupling":7.392,"atoms":[16],"diaIDs":["did@`@fTeYWaj@@@GzP`HeT"],"multiplicity":"d","pathLength":3},{"coupling":7.392,"atoms":[17],"diaIDs":["did@`@fTeYWaj@@@GzP`HeT"],"multiplicity":"d","pathLength":3}]},{"id":"49488249-b07a-42bc-baf7-4ca75384deae","atoms":[12],"diaIDs":["did@`@fTfYUn`HH@GzP`HeT"],"nbAtoms":1,"delta":7.162,"js":[{"coupling":7.758,"atoms":[11],"diaIDs":["did@`@f\\bbRaih@J@A~dHBIU@"],"multiplicity":"d","pathLength":3},{"coupling":1.293,"atoms":[10],"diaIDs":["did@`@fTfUvf`@h@GzP`HeT"],"multiplicity":"d","pathLength":4},{"coupling":0.985,"atoms":[8],"diaIDs":["did@`@fTfYUn`HH@GzP`HeT"],"multiplicity":"d","pathLength":4},{"coupling":0.507,"atoms":[9],"diaIDs":["did@`@f\\bbRaih@J@A~dHBIU@"],"multiplicity":"d","pathLength":5}]},{"id":"488249b0-7a22-4c7a-b74c-a75384deae0f","atoms":[11],"diaIDs":["did@`@f\\bbRaih@J@A~dHBIU@"],"nbAtoms":1,"delta":7.26,"js":[{"coupling":7.758,"atoms":[12],"diaIDs":["did@`@fTfYUn`HH@GzP`HeT"],"multiplicity":"d","pathLength":3},{"coupling":7.718,"atoms":[10],"diaIDs":["did@`@fTfUvf`@h@GzP`HeT"],"multiplicity":"d","pathLength":3},{"coupling":1.596,"atoms":[9],"diaIDs":["did@`@f\\bbRaih@J@A~dHBIU@"],"multiplicity":"d","pathLength":4},{"coupling":0.507,"atoms":[8],"diaIDs":["did@`@fTfYUn`HH@GzP`HeT"],"multiplicity":"d","pathLength":5}]},{"id":"8249b07a-22bc-4af7-8ca7-5384deae0f76","atoms":[15],"diaIDs":["did@`@fTeYWaj@@@GzP`HeT"],"nbAtoms":1,"delta":0.992,"js":[{"coupling":7.392,"atoms":[14],"diaIDs":["did@`@fTf[Waj@@bJ@_iB@bUP"],"multiplicity":"d","pathLength":3},{"coupling":7.392,"atoms":[13],"diaIDs":["did@`@fTf[Waj@@bJ@_iB@bUP"],"multiplicity":"d","pathLength":3}]},{"id":"49b07a22-bc7a-474c-a753-84deae0f76ba","atoms":[16],"diaIDs":["did@`@fTeYWaj@@@GzP`HeT"],"nbAtoms":1,"delta":0.992,"js":[{"coupling":7.392,"atoms":[14],"diaIDs":["did@`@fTf[Waj@@bJ@_iB@bUP"],"multiplicity":"d","pathLength":3},{"coupling":7.392,"atoms":[13],"diaIDs":["did@`@fTf[Waj@@bJ@_iB@bUP"],"multiplicity":"d","pathLength":3}]},{"id":"b07a22bc-7af7-4ca7-9384-deae0f76ba9e","atoms":[17],"diaIDs":["did@`@fTeYWaj@@@GzP`HeT"],"nbAtoms":1,"delta":0.992,"js":[{"coupling":7.392,"atoms":[14],"diaIDs":["did@`@fTf[Waj@@bJ@_iB@bUP"],"multiplicity":"d","pathLength":3},{"coupling":7.392,"atoms":[13],"diaIDs":["did@`@fTf[Waj@@bJ@_iB@bUP"],"multiplicity":"d","pathLength":3}]}],"joinedSignals":[{"id":"28fc1c49-6b35-4071-8ec9-90dc3c1b883a","nbAtoms":3,"delta":0.992,"diaIDs":["did@`@fTeYWaj@@@GzP`HeT"],"atoms":[15,16,17],"js":[{"coupling":7.392,"multiplicity":"t","diaIDs":["did@`@fTf[Waj@@bJ@_iB@bUP"],"pathLength":3}],"multiplicity":"t"},{"id":"043e24fe-cf17-4315-939f-8ea61bce64a8","nbAtoms":2,"delta":2.653,"diaIDs":["did@`@fTf[Waj@@bJ@_iB@bUP"],"atoms":[14,13],"js":[{"coupling":7.392,"multiplicity":"q","diaIDs":["did@`@fTeYWaj@@@GzP`HeT"],"pathLength":3}],"multiplicity":"q"},{"id":"a21cff1d-8dd8-4705-b629-7d1151fdb38d","nbAtoms":2,"delta":7.162,"diaIDs":["did@`@fTfYUn`HH@GzP`HeT"],"atoms":[8,12],"js":[{"coupling":7.758,"multiplicity":"d","diaIDs":["did@`@f\\bbRaih@J@A~dHBIU@"],"pathLength":3},{"coupling":1.2925,"multiplicity":"d","diaIDs":["did@`@fTfUvf`@h@GzP`HeT"],"pathLength":4},{"coupling":0.985,"multiplicity":"d","diaIDs":["did@`@fTfYUn`HH@GzP`HeT"],"pathLength":4},{"coupling":0.507,"multiplicity":"d","diaIDs":["did@`@f\\bbRaih@J@A~dHBIU@"],"pathLength":5}],"multiplicity":"dddd"},{"id":"5721eb0a-8abc-4312-82e4-3420ec870b06","nbAtoms":1,"delta":7.196,"diaIDs":["did@`@fTfUvf`@h@GzP`HeT"],"atoms":[10],"js":[{"coupling":7.718,"multiplicity":"t","diaIDs":["did@`@f\\bbRaih@J@A~dHBIU@"],"pathLength":3},{"coupling":1.2925,"multiplicity":"t","diaIDs":["did@`@fTfYUn`HH@GzP`HeT"],"pathLength":4}],"multiplicity":"tt"},{"id":"9a007261-67f7-4158-babe-e82b2957e47f","nbAtoms":2,"delta":7.26,"diaIDs":["did@`@f\\bbRaih@J@A~dHBIU@"],"atoms":[9,11],"js":[{"coupling":7.758,"multiplicity":"d","diaIDs":["did@`@fTfYUn`HH@GzP`HeT"],"pathLength":3},{"coupling":7.718,"multiplicity":"d","diaIDs":["did@`@fTfUvf`@h@GzP`HeT"],"pathLength":3},{"coupling":1.596,"multiplicity":"d","diaIDs":["did@`@f\\bbRaih@J@A~dHBIU@"],"pathLength":4},{"coupling":0.507,"multiplicity":"d","diaIDs":["did@`@fTfYUn`HH@GzP`HeT"],"pathLength":5}],"multiplicity":"dddd"}],"ranges":[{"id":"86dd2323-2c6a-4856-b817-9aa7bb1f568c","from":0.92352,"to":1.06048,"integration":3,"signals":[{"id":"28fc1c49-6b35-4071-8ec9-90dc3c1b883a","nbAtoms":3,"delta":0.992,"diaIDs":["did@`@fTeYWaj@@@GzP`HeT"],"atoms":[15,16,17],"js":[{"coupling":7.392,"multiplicity":"t","diaIDs":["did@`@fTf[Waj@@bJ@_iB@bUP"],"pathLength":3}],"multiplicity":"t"}]},{"id":"d4626857-8bdd-4def-8398-b2b29b1aea57","from":2.5752800000000002,"to":2.73072,"integration":2,"signals":[{"id":"043e24fe-cf17-4315-939f-8ea61bce64a8","nbAtoms":2,"delta":2.653,"diaIDs":["did@`@fTf[Waj@@bJ@_iB@bUP"],"atoms":[14,13],"js":[{"coupling":7.392,"multiplicity":"q","diaIDs":["did@`@fTeYWaj@@@GzP`HeT"],"pathLength":3}],"multiplicity":"q"}]},{"id":"5d3f52f3-ab04-40ec-b8f3-dfb1ff90e76c","from":7.098821875,"to":7.3319737499999995,"integration":5,"signals":[{"id":"a21cff1d-8dd8-4705-b629-7d1151fdb38d","nbAtoms":2,"delta":7.162,"diaIDs":["did@`@fTfYUn`HH@GzP`HeT"],"atoms":[8,12],"js":[{"coupling":7.758,"multiplicity":"d","diaIDs":["did@`@f\\bbRaih@J@A~dHBIU@"],"pathLength":3},{"coupling":1.2925,"multiplicity":"d","diaIDs":["did@`@fTfUvf`@h@GzP`HeT"],"pathLength":4},{"coupling":0.985,"multiplicity":"d","diaIDs":["did@`@fTfYUn`HH@GzP`HeT"],"pathLength":4},{"coupling":0.507,"multiplicity":"d","diaIDs":["did@`@f\\bbRaih@J@A~dHBIU@"],"pathLength":5}],"multiplicity":"dddd"},{"id":"5721eb0a-8abc-4312-82e4-3420ec870b06","nbAtoms":1,"delta":7.196,"diaIDs":["did@`@fTfUvf`@h@GzP`HeT"],"atoms":[10],"js":[{"coupling":7.718,"multiplicity":"t","diaIDs":["did@`@f\\bbRaih@J@A~dHBIU@"],"pathLength":3},{"coupling":1.2925,"multiplicity":"t","diaIDs":["did@`@fTfYUn`HH@GzP`HeT"],"pathLength":4}],"multiplicity":"tt"},{"id":"9a007261-67f7-4158-babe-e82b2957e47f","nbAtoms":2,"delta":7.26,"diaIDs":["did@`@f\\bbRaih@J@A~dHBIU@"],"atoms":[9,11],"js":[{"coupling":7.758,"multiplicity":"d","diaIDs":["did@`@fTfYUn`HH@GzP`HeT"],"pathLength":3},{"coupling":7.718,"multiplicity":"d","diaIDs":["did@`@fTfUvf`@h@GzP`HeT"],"pathLength":3},{"coupling":1.596,"multiplicity":"d","diaIDs":["did@`@f\\bbRaih@J@A~dHBIU@"],"pathLength":4},{"coupling":0.507,"multiplicity":"d","diaIDs":["did@`@fTfYUn`HH@GzP`HeT"],"pathLength":5}],"multiplicity":"dddd"}]}],"status":"ok"}}