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porphin.cjson
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{
"chemicalJson": 1,
"atoms": {
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},
"elements": {
"number": [6, 6, 6, 6, 7, 6, 6, 7, 6, 6, 6, 6, 6, 7, 6, 6, 6, 7, 6, 6, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1]
},
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},
"partialCharges": {
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},
"bonds": {
"connections": {
"index": [29, 10, 32, 15, 30, 11, 10, 9, 10, 8, 15, 14, 15, 12, 27, 7, 31, 14, 11, 12, 11, 8, 14, 23, 28, 9, 12, 13, 9, 6, 8, 7, 13, 23, 23, 22, 7, 6, 6, 5, 22, 37, 22, 16, 26, 5, 5, 3, 4, 3, 4, 2, 33, 17, 16, 17, 16, 20, 17, 18, 3, 0, 35, 20, 20, 19, 0, 24, 0, 1, 2, 1, 2, 21, 18, 19, 18, 21, 1, 25, 19, 34, 21, 36]
},
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},
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},
"properties": {
"name": "porphin.out.gz",
"totalCharge": 0,
"totalSpinMultiplicity": 1
}
}