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CH2N2.rmap
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0.8640 0.0213 0.5891 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1268 -1.0087 0.0745 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0963 0.5420 0.5899 H 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4049 -1.3621 -0.8214 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 3 1 0 0 0 0\n 1 2 1 0 0 0 0\n 1 4 1 0 0 0 0\n 3 2 1 0 0 0 0\n 5 3 1 0 0 0 0\nM RAD 1 2 3\nM END\n$$$$\n", "inchi": "1S/CH2N2/c1-2-3-1/h2-3H", "position": [0.30000000000000004, 0.4]}, {"smiles": "N1[C]N1", "bonds": [[0, 1, 1], [2, 0, 1], [2, 1, 1], [3, 0, 1], [4, 2, 1]], "geometry": [["N", -0.409547646801, 0.326532889554, 0.167468487805], ["C", 0.878777672566, 0.04412336739, 0.51530553539], ["N", 0.157317305276, -1.015388674495, 0.048983098836], ["H", -0.454489337115, 0.915261772192, -0.648538124696], ["H", 0.493881799854, -1.329788202806, -0.846765435533]], "energy": -147.757719106807, "label": "EQ4", "sdf": "XYZ\n OpenBabel10251407523D\n\n 5 5 0 0 0 0 0 0 0 0999 V2000\n -0.4095 0.3265 0.1675 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8788 0.0441 0.5153 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1573 -1.0154 0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4545 0.9153 -0.6485 H 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4939 -1.3298 -0.8468 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 1 1 0 0 0 0\n 3 2 1 0 0 0 0\n 4 1 1 0 0 0 0\n 5 3 1 0 0 0 0\nM RAD 1 2 3\nM END\n$$$$\n", "inchi": "1S/CH2N2/c1-2-3-1/h2-3H", "position": [0.1, 0.5]}, {"smiles": "[NH][C][NH]", "bonds": [[0, 1, 1], [0, 3, 1], [1, 2, 1], [4, 2, 1]], "geometry": [["N", -0.367524645554, 0.844921992744, 0.021303016861], ["C", 0.14713760119, -0.239583025689, 0.175529907072], ["N", 0.783594510035, -1.249271556349, 0.376194989079], ["H", -1.301934935694, 0.986241871237, 0.348023952336], ["H", 0.768345039837, -1.973952769643, -0.312606439167]], "energy": -147.900220628445, "label": "EQ5", "sdf": "XYZ\n OpenBabel10251407523D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n -0.3675 0.8449 0.0213 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1471 -0.2396 0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7836 -1.2493 0.3762 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3019 0.9862 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0\n 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1 0 0 0 0\n 2 1 1 0 0 0 0\n 2 3 1 0 0 0 0\n 5 2 1 0 0 0 0\nM RAD 2 2 2 3 2\nM END\n$$$$\n", "inchi": "1S/CH2N2/c1-2-3-1/h1H,(H,2,3)", "position": [0.5, 0.30000000000000004]}, {"smiles": "[NH]N[C]", "bonds": [[0, 2, 1], [0, 3, 1], [2, 1, 1], [4, 2, 1]], "geometry": [["N", -0.849107540549, 0.206196391609, -0.188360211363], ["C", 1.143499147537, -0.653847282574, 0.905951620495], ["N", 0.398342388087, -0.315890168009, -0.025049990307], ["H", -1.208499705484, 0.325798153044, 0.744707536105], ["H", 0.854411120421, -0.476787437121, -0.918716853858]], "energy": -147.709071924461, "label": "EQ7", "sdf": "XYZ\n OpenBabel10251407523D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n -0.8491 0.2062 -0.1884 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1435 -0.6538 0.9060 C 0 0 0 0 0 1 0 0 0 0 0 0\n 0.3983 -0.3159 -0.0250 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2085 0.3258 0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8544 -0.4768 -0.9187 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 3 2 1 0 0 0 0\n 5 3 1 0 0 0 0\nM RAD 1 1 2\nM END\n$$$$\n", "inchi": "1S/CH2N2/c1-3-2/h2-3H", "position": [0.9, 0.5]}, {"smiles": "[NH][N][CH]", "bonds": [[0, 2, 1], [1, 3, 1], [2, 1, 1], [4, 0, 1]], "geometry": [["N", -0.665798319419, 0.309145547912, -0.415358648302], ["C", 1.106472608769, -0.692522518322, 0.846294019367], ["N", 0.202169235452, -0.280849414816, 0.215419449807], ["H", 1.102502447075, -1.4227621062, 1.62660351462], ["H", -0.836986408117, -0.185007907542, -1.277450832643]], "energy": -147.794608816097, "label": "EQ8", "sdf": "XYZ\n OpenBabel10251407523D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n -0.6658 0.3091 -0.4154 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1065 -0.6925 0.8463 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2022 -0.2808 0.2154 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1025 -1.4228 1.6266 H 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8370 -0.1850 -1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 3 2 1 0 0 0 0\n 5 1 1 0 0 0 0\nM RAD 3 1 2 2 3 3 2\nM END\n$$$$\n", "inchi": "1S/CH2N2/c1-3-2/h1-2H/b3-2+", "position": [0.7000000000000001, 0.4]}, {"smiles": "N[N][C]", "bonds": [[0, 2, 1], [1, 2, 1], [3, 0, 1], [4, 0, 1]], "geometry": [["N", -0.501480287598, 0.060205023817, -0.466408109066], ["C", 1.427181019571, -0.711860642973, 0.569902009782], ["N", -0.126415286393, -0.1511701389, 0.662566785084], ["H", -1.431383939582, 0.411212989818, -0.64430683826], ["H", 0.16198996721, -0.132203283279, -1.218420470779]], "energy": -147.593563387165, "label": "EQ9", "sdf": "XYZ\n OpenBabel10251407523D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n -0.5015 0.0602 -0.4664 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4272 -0.7119 0.5699 C 0 0 0 0 0 1 0 0 0 0 0 0\n -0.1264 -0.1512 0.6626 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4314 0.4112 -0.6443 H 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1620 -0.1322 -1.2184 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 3 1 0 0 0 0\n 2 3 1 0 0 0 0\n 4 1 1 0 0 0 0\n 5 1 1 0 0 0 0\nM RAD 1 3 2\nM END\n$$$$\n", "inchi": "1S/CH2N2/c1-3-2/h2H2", "position": [0.9, 0.30000000000000004]}, {"smiles": "[N]1C[N]1", "bonds": [[0, 2, 1], [1, 0, 1], [1, 3, 1], [1, 2, 1], [4, 1, 1]], 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-0.406350936082, -0.503957806438], ["H", 0.089507893688, -1.88347314645, -0.637322477613]], "energy": -147.735359671597, "label": "EQ13", "sdf": "XYZ\n OpenBabel10251407523D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 0.3599 0.9166 0.7961 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1060 -0.8891 -0.2707 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7865 -0.2977 0.4402 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0424 -0.4064 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0895 -1.8835 -0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 1 1 0 0 0 0\n 4 2 1 0 0 0 0\n 5 2 1 0 0 0 0\nM RAD 3 1 3 2 2 3 2\nM END\n$$$$\n", "inchi": "1S/CH2N2/c1-3-2/h1H2", "position": [0.7000000000000001, 0.6000000000000001]}, {"smiles": "[N]N[CH]", "bonds": [[1, 3, 1], [2, 1, 1], [2, 0, 1], [4, 2, 1]], "geometry": [["N", 0.470741645012, 0.809167680439, 0.605090550884], ["C", -0.352379663709, -1.311061833264, 0.045376498584], ["N", 0.5875317287, -0.297901899721, 0.027813420413], ["H", -1.157722182145, -0.906312253655, 0.653843095026], ["H", 1.426077573495, -0.489512993061, -0.498627194346]], "energy": -147.721380076803, "label": "EQ14", "sdf": "XYZ\n OpenBabel10251407523D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 0.4707 0.8092 0.6051 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3524 -1.3111 0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5875 -0.2979 0.0278 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1577 -0.9063 0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4261 -0.4895 -0.4986 H 0 0 0 0 0 0 0 0 0 0 0 0\n 2 4 1 0 0 0 0\n 3 2 1 0 0 0 0\n 3 1 1 0 0 0 0\n 5 3 1 0 0 0 0\nM RAD 2 1 3 2 3\nM END\n$$$$\n", "inchi": "1S/CH2N2/c1-3-2/h1,3H", "position": [0.5, 0.5]}, {"smiles": "[NH][N][CH]", "bonds": [[0, 3, 1], [1, 2, 1], [2, 0, 1], [4, 1, 1]], "geometry": [["N", 0.51864569231, 0.852507331896, 0.59415521339], ["C", 0.07240948414, -1.371453493522, -0.17626656956], ["N", 0.222042654731, -0.311655327713, 0.207624477077], ["H", -0.311518392808, 1.268187748127, 0.981100348099], ["H", -0.065380225453, -2.356021194182, -0.533236800085]], "energy": -147.79372548827, "label": "EQ15", "sdf": "XYZ\n OpenBabel10251407523D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 0.5186 0.8525 0.5942 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0724 -1.3715 -0.1763 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2220 -0.3117 0.2076 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3115 1.2682 0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0654 -2.3560 -0.5332 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 4 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 1 1 0 0 0 0\n 5 2 1 0 0 0 0\nM RAD 3 1 2 2 3 3 2\nM END\n$$$$\n", "inchi": "1S/CH2N2/c1-3-2/h1-2H/b3-2+", "position": [0.30000000000000004, 0.8]}, {"smiles": "[NH]N[C]", "bonds": [[0, 2, 1], [2, 1, 1], [3, 0, 1], [4, 2, 1]], "geometry": [["N", -0.762244859229, 0.383984086695, -0.150756446618], ["C", 1.315823180967, -0.527864837468, 0.630518089005], ["N", 0.184880497281, -0.541521722276, 0.123817232049], ["H", -1.509270555259, -0.139076106216, -0.567680883514], ["H", 0.030562964182, -1.528172596318, -0.102755246911]], "energy": -147.704681275533, "label": "EQ16", "sdf": "XYZ\n OpenBabel10251407523D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n -0.7622 0.3840 -0.1508 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3158 -0.5279 0.6305 C 0 0 0 0 0 1 0 0 0 0 0 0\n 0.1849 -0.5415 0.1238 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5093 -0.1391 -0.5677 H 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0306 -1.5282 -0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 3 1 0 0 0 0\n 3 2 1 0 0 0 0\n 4 1 1 0 0 0 0\n 5 3 1 0 0 0 0\nM RAD 1 1 2\nM END\n$$$$\n", "inchi": "1S/CH2N2/c1-3-2/h2-3H", "position": [0.5, 0.7000000000000001]}, {"smiles": "[NH]N[C]", "bonds": [[0, 3, 1], [2, 0, 1], [2, 1, 1], [4, 2, 1]], "geometry": [["N", -0.78992896758, 0.179768766778, -0.12835978851], ["C", 1.152002438043, -0.661439219509, 1.037729143845], ["N", 0.329768125008, -0.282291511394, -0.191211847501], ["H", -0.993067892079, 0.232825055731, 0.869837404959], ["H", 0.668279093043, -0.393055274724, -1.137854963916]], "energy": -147.624700045371, "label": "EQ17", "sdf": "XYZ\n OpenBabel10251407523D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n -0.7899 0.1798 -0.1284 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1520 -0.6614 1.0377 C 0 0 0 0 0 1 0 0 0 0 0 0\n 0.3298 -0.2823 -0.1912 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9931 0.2328 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6683 -0.3931 -1.1379 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 4 1 0 0 0 0\n 3 1 1 0 0 0 0\n 3 2 1 0 0 0 0\n 5 3 1 0 0 0 0\nM RAD 1 1 2\nM END\n$$$$\n", "inchi": "1S/CH2N2/c1-3-2/h2-3H", "position": [0.7000000000000001, 1.0]}, {"smiles": "[NH]N[C]", "bonds": [[0, 2, 1], [2, 1, 1], [3, 0, 1], [4, 2, 1]], "geometry": [["N", -0.689250143459, 0.368295167969, -0.120703762975], ["C", 1.435585067025, -0.476802106444, 0.692109186956], ["N", 0.038015675819, -0.587887196398, 0.050885077227], ["H", -1.562166647086, 0.079069292703, -0.556352705975], ["H", -0.31420253749, -1.492327070085, -0.250821069466]], "energy": -147.603324434666, "label": "EQ18", "sdf": "XYZ\n OpenBabel10251407523D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n -0.6893 0.3683 -0.1207 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4356 -0.4768 0.6921 C 0 0 0 0 0 1 0 0 0 0 0 0\n 0.0380 -0.5879 0.0509 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5622 0.0791 -0.5564 H 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3142 -1.4923 -0.2508 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 3 1 0 0 0 0\n 3 2 1 0 0 0 0\n 4 1 1 0 0 0 0\n 5 3 1 0 0 0 0\nM RAD 1 1 2\nM END\n$$$$\n", "inchi": "1S/CH2N2/c1-3-2/h2-3H", "position": [0.7000000000000001, 0.8]}, {"smiles": "[NH]C#N.[H]", "bonds": [[0, 1, 1], [1, 2, 3], [4, 0, 1]], "geometry": [["N", -0.223886736378, 0.823659458596, -0.137830863218], ["C", 0.234620924875, -0.359660610759, 0.204392930839], ["N", 0.746612878993, -1.335505087985, 0.527077705079], ["H", -2.474905374369, 1.089719618261, 0.87867714371], ["H", -0.582253156016, 0.845900708003, -1.072282146]], "energy": -147.666471032662, "label": "DC0", "sdf": "XYZ\n OpenBabel10251407523D\n\n 5 3 0 0 0 0 0 0 0 0999 V2000\n -0.2239 0.8237 -0.1378 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2346 -0.3597 0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7466 -1.3355 0.5271 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4749 1.0897 0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5823 0.8459 -1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 3 0 0 0 0\n 5 1 1 0 0 0 0\nM RAD 2 1 2 4 2\nM END\n$$$$\n", "multiframe_xyz": ["5\n\nN \t -0.329601662145\t 0.813667977023\t -0.111595645409\nC \t 0.235116734926\t -0.358528527880\t 0.222776376461\nN \t 0.746263380759\t -1.331279661605\t 0.520143271337\nH \t -1.146901669636\t 1.046279603009\t 0.412823183268\nH \t -0.442464128096\t 0.955976796929\t -1.093488577452", "5\n\nN \t -0.329405663364\t 0.813936177838\t -0.111542415444\nC \t 0.235392222171\t -0.358354986560\t 0.222875855914\nN \t 0.746056555965\t -1.331379641985\t 0.520064260495\nH \t -1.148405242820\t 1.044053150815\t 0.412101265238\nH \t -0.444090313917\t 0.953799608696\t -1.093592935701", "5\n\nN \t -0.329578410982\t 0.813465087730\t -0.111656322058\nC \t 0.234764480587\t -0.358609658097\t 0.222966685961\nN \t 0.746454450793\t -1.331183411353\t 0.520032605492\nH \t -1.146587094337\t 1.047971937376\t 0.412907998605\nH \t -0.441562325096\t 0.956732146334\t -1.093458682790", "5\n\nN \t -0.329674778310\t 0.813783769342\t -0.111547477614\nC \t 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END\n$$$$\n", "multiframe_xyz": ["5\n\nN \t 0.742428986974\t 0.815904795974\t 0.520081077509\nC \t -0.228664368226\t -1.297764090601\t -0.066813015555\nN \t 0.291045967258\t -0.166579881734\t 0.247277167159\nH \t -1.264703839631\t -1.446451878299\t 0.148655034067\nH \t 0.404560328400\t -2.025949271099\t -0.525772577721", "5\n\nN \t 0.743010795351\t 0.815619420331\t 0.519812684698\nC \t -0.228484929986\t -1.297709363207\t -0.066838734197\nN \t 0.290159713535\t -0.166256961986\t 0.247641332919\nH \t -1.264588525167\t -1.448824925250\t 0.147676145798\nH \t 0.406538543843\t -2.024749504786\t -0.525818164876", "5\n\nN \t 0.744390439752\t 0.811496122094\t 0.517799148567\nC \t -0.230043391297\t -1.294135051323\t -0.064996867975\nN \t 0.289198928689\t -0.164124655260\t 0.248748150901\nH \t -1.272788979381\t -1.485431506473\t 0.135224392662\nH \t 0.427475548526\t -2.003038109392\t -0.522698937754", "5\n\nN \t 0.733518649472\t 0.825316241960\t 0.526205644221\nC \t -0.236329437410\t 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3 0 0 0 0\n 5 2 1 0 0 0 0\nM RAD 1 1 3\nM END\n$$$$\n", "multiframe_xyz": ["5\n\nN \t 0.514617368772\t 0.853017405368\t 0.595430624546\nC \t 0.076585283422\t -1.371700705205\t -0.177476366753\nN \t 0.222218196274\t -0.311754902208\t 0.207538050861\nH \t -0.317089714297\t 1.265731536371\t 0.981598163924\nH \t -0.055997528122\t -2.356325091814\t -0.535849941203", "5\n\nN \t 0.513816232560\t 0.853213089614\t 0.595721882059\nC \t 0.073765689292\t -1.371239183420\t -0.176542061757\nN \t 0.225444248799\t -0.312237073628\t 0.206487427801\nH \t -0.323718420668\t 1.271707736358\t 0.985750035104\nH \t -0.049489034107\t -2.363815999481\t -0.540575531014", "5\n\nN \t 0.508878352992\t 0.853928118296\t 0.597320854397\nC \t 0.075594629309\t -1.370701509299\t -0.176813487480\nN \t 0.234847663158\t -0.311218326142\t 0.204394080863\nH \t -0.336902165488\t 1.232543232550\t 0.973598823399\nH \t -0.120127869267\t -2.355143182682\t -0.518323485867", "5\n\nN \t 0.502419813033\t 0.862279399052\t 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2, 1], [0, 3, 1], [2, 1, 2]], "geometry": [["N", -0.774713792615, 0.17422536642, -0.152557430729], ["C", 1.12312572785, -0.646434057268, 0.940590413774], ["N", 0.337922854326, -0.292020886266, 0.011997537536], ["H", -1.205350529741, 0.323977674501, 0.766649227142], ["H", 0.899682136084, -0.450666501059, -2.365304425454]], "energy": -147.479213343957, "label": "DC19", "sdf": "XYZ\n OpenBabel10251407523D\n\n 5 3 0 0 0 0 0 0 0 0999 V2000\n -0.7747 0.1742 -0.1526 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1231 -0.6464 0.9406 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3379 -0.2920 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2054 0.3240 0.7666 H 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8997 -0.4507 -2.3653 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 3 2 2 0 0 0 0\nM RAD 3 1 2 2 3 5 2\nM END\n$$$$\n", "multiframe_xyz": ["5\n\nN \t -0.788439317925\t 0.179317406501\t -0.133472380314\nC \t 1.148050222922\t -0.659959695956\t 1.043000060644\nN \t 0.331460244303\t -0.283030345071\t -0.190360357055\nH \t -0.996170726389\t 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0.239567087484\nN \t 0.621844416234\t -1.351754484287\t 0.428377439315\nH \t -0.909804366744\t 0.251896157860\t 0.774726384882\nH \t 1.400427716136\t -1.445607387385\t -0.198866173568", "5\n\nN \t -0.156504410356\t 0.857011979315\t -0.266257505502\nC \t 0.046140050122\t -0.262928254256\t 0.254869428385\nN \t 0.625866323200\t -1.350365444584\t 0.423985064069\nH \t -0.908229209170\t 0.172879381176\t 0.822683775584\nH \t 1.400890046115\t -1.429759083644\t -0.209240150976", "5\n\nN \t -0.145287069583\t 0.860221064610\t -0.278114354001\nC \t 0.027662751778\t -0.264465021235\t 0.272047323437\nN \t 0.630386760276\t -1.348106864911\t 0.418630057028\nH \t -0.907480290550\t 0.097152964235\t 0.869277829909\nH \t 1.401480955532\t -1.411704297771\t -0.221220909175", "5\n\nN \t -0.132613487415\t 0.862404742856\t -0.290594440393\nC \t 0.007011241469\t -0.266847766089\t 0.291631695935\nN \t 0.635462042733\t -1.344680049243\t 0.412090962321\nH \t -0.908094638749\t 0.025175735485\t 0.914655058155\nH \t 1.401380357075\t -1.389310301873\t -0.235526741627", "5\n\nN \t -0.117464695904\t 0.861478396313\t -0.303272393686\nC \t -0.016579583023\t -0.269627864338\t 0.314002901757\nN \t 0.640867647874\t -1.338637247979\t 0.403718317994\nH \t -0.911325341925\t -0.042304964778\t 0.959097723838\nH \t 1.399912979338\t -1.359817262067\t -0.253855145797", "5\n\nN \t -0.098719179110\t 0.855253853963\t -0.316107491395\nC \t -0.043318043704\t -0.273426696097\t 0.340487827109\nN \t 0.645893770460\t -1.328024787731\t 0.392252025158\nH \t -0.919342460522\t -0.102448059183\t 1.003360039927\nH \t 1.396008884543\t -1.315409396951\t -0.275816898512", "5\n\nN \t -0.085875303298\t 0.846762068927\t -0.323129873974\nC \t -0.059978993351\t -0.274002086262\t 0.358020857834\nN \t 0.647628371918\t -1.319052971888\t 0.383151507333\nH \t -0.925613585066\t -0.137017039724\t 1.029959246980\nH \t 1.398100612681\t -1.280659060469\t -0.287161673175", "5\n\nN \t -0.079665978857\t 0.849220569493\t -0.336436319349\nC \t -0.067079021894\t -0.277093437356\t 0.381110422223\nN \t 0.645526778223\t -1.319905621354\t 0.372878296204\nH \t -0.925832444473\t -0.174647694037\t 1.054976736738\nH \t 1.425784045812\t -1.228532475950\t -0.259478643826", "5\n\nN \t -0.045333188984\t 0.814865924476\t -0.338818387361\nC \t -0.112457048236\t -0.278068870543\t 0.406705373165\nN \t 0.655456673019\t -1.284936191780\t 0.355861193046\nH \t -0.950085242260\t -0.209552883130\t 1.100398575547\nH \t 1.375343984653\t -1.190555002980\t -0.340116299510", "5\n\nN \t -0.031570416697\t 0.804484055783\t -0.340367718701\nC \t -0.130614801780\t -0.282196299351\t 0.414433359584\nN \t 0.659109018478\t -1.270850857089\t 0.351729422278\nH \t -0.950480219820\t -0.228416533018\t 1.126834527697\nH \t 1.349968477013\t -1.174004019158\t -0.379632839425", "5\n\nN \t -0.017398000483\t 0.793204945164\t -0.340320133527\nC \t -0.151209195528\t -0.284445005338\t 0.419675866258\nN \t 0.665033736677\t -1.256472372649\t 0.348208532342\nH \t 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0.029505283027\t 0.743120921174\t -0.334201047258\nC \t -0.214090685524\t -0.288850422885\t 0.435779666393\nN \t 0.681339767967\t -1.202723070927\t 0.331753561990\nH \t -0.949589976124\t -0.284249986826\t 1.225373780078\nH \t 1.185522295295\t -1.132931494529\t -0.540469203286", "5\n\nN \t 0.039666302610\t 0.729164136329\t -0.331148424892\nC \t -0.227285549049\t -0.288197757657\t 0.438976287209\nN \t 0.684855274718\t -1.189408709853\t 0.326915099357\nH \t -0.954494636517\t -0.286428100580\t 1.235633036721\nH \t 1.157509487844\t -1.129598492939\t -0.563976986157", "5\n\nN \t 0.049419859753\t 0.714519552738\t -0.327217148963\nC \t -0.240343507086\t -0.286319317593\t 0.441797234646\nN \t 0.689020156472\t -1.175876010247\t 0.321666855748\nH \t -0.962655084167\t -0.287908251570\t 1.242456028844\nH \t 1.127761139568\t -1.135035700433\t -0.586090105897", "5\n\nN \t 0.058714878285\t 0.699801436901\t -0.322707911415\nC \t -0.253215401570\t -0.283573028991\t 0.444261540964\nN \t 0.693831473043\t 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0 0\nM RAD 2 2 3 3 3\nM END\n$$$$\n", "multiframe_xyz": ["5\n\nN \t 0.210750869392\t 0.140719653842\t 0.286094776539\nC \t -0.121159989344\t -0.683226421699\t -0.768082418462\nN \t 1.025890838927\t -0.209620072476\t 1.176098963999\nH \t -0.206098226197\t 1.060037918129\t 0.361331942499\nH \t -0.838819088439\t -0.102530654002\t -1.355658153404", "5\n\nN \t 0.210947455088\t 0.140659781099\t 0.285956398001\nC \t -0.121039696252\t -0.683106649592\t -0.768303705205\nN \t 1.025775455409\t -0.209611489207\t 1.176339284724\nH \t -0.205628843067\t 1.060318211525\t 0.360945403936\nH \t -0.841849032313\t -0.103524419442\t -1.354053211944", "5\n\nN \t 0.214675224320\t 0.144506706577\t 0.282018501136\nC \t -0.118357305425\t -0.682814905956\t -0.766744794258\nN \t 1.022623891259\t -0.212179310396\t 1.176878464454\nH \t -0.216033418603\t 1.051719883970\t 0.369177907794\nH \t -0.871389220054\t -0.116172156397\t -1.333624435047", "5\n\nN \t 0.209467048889\t 0.139646581108\t 0.287341681034\nC \t 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"5\n\nN \t -0.658445049619\t 0.475536868342\t -0.512174833736\nC \t 1.000778320981\t -0.556946780204\t 1.039570245447\nN \t 0.131856556146\t -0.401611148343\t 0.103294878833\nH \t 1.269615665664\t -1.608602705528\t 1.007094525528\nH \t -0.187667116307\t -1.176660450795\t -0.507934758693", "5\n\nN \t -0.657929262348\t 0.454697427332\t -0.518260840977\nC \t 0.998875347762\t -0.570579550055\t 1.033027412978\nN \t 0.136734298175\t -0.372689139931\t 0.118093529802\nH \t 1.264309924235\t -1.621767776584\t 0.997053996661\nH \t -0.234642584050\t -1.113474347196\t -0.541046368225", "5\n\nN \t -0.655645731130\t 0.438208151854\t -0.520961283412\nC \t 0.995079053600\t -0.578817120946\t 1.026075150586\nN \t 0.141525531371\t -0.353251607422\t 0.129770221930\nH \t 1.270934988609\t -1.625187739389\t 1.003469925968\nH \t -0.294365079043\t -1.052935154892\t -0.589402057590", "5\n\nN \t -0.654441643682\t 0.430969324255\t -0.521917863798\nC \t 0.993131892447\t -0.582116895756\t 1.022806688636\nN \t 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