import classes

atome1 = classes.Atome('C', 1, [6, 2, 6, 94])
atome2 = classes.Atome('C', 2, [1, 3, 4, 5])
atome3 = classes.Atome('H', 3, [2])
atome4 = classes.Atome('H', 4, [2])
atome5 = classes.Atome('H', 5, [2])
atome6 = classes.Atome('C', 6, [1, 7, 8, 9])
atome7 = classes.Atome('H', 7, [6])
atome8 = classes.Atome('H', 8, [6])
atome9 = classes.Atome('H', 9, [6])
atome10 = classes.Atome('C', 10, [1, 11, 83, 83])
atome11 = classes.Atome('C', 11, [10, 12, 12, 82])
atome12 = classes.Atome('C', 12, [11, 11, 13, 81])
atome13 = classes.Atome('C', 13, [12, 14, 14, 77])
atome14 = classes.Atome('C', 14, [13, 13, 15, 76])
atome15 = classes.Atome('C', 15, [14, 16, 16, 75])
atome16 = classes.Atome('C', 16, [15, 15, 17, 74])
atome17 = classes.Atome('C', 17, [16, 18, 18, 70])
atome18 = classes.Atome('C', 18, [17, 17, 19, 69])
atome19 = classes.Atome('C', 19, [18, 20, 20, 68])
atome20 = classes.Atome('C', 20, [19, 19, 21, 67])
atome21 = classes.Atome('C', 21, [20, 22, 22, 66])
atome22 = classes.Atome('C', 22, [21, 21, 23, 27])
atome23 = classes.Atome('C', 23, [22, 24, 25, 26])
atome24 = classes.Atome('H', 24, [23])
atome25 = classes.Atome('H', 25, [23])
atome26 = classes.Atome('C', 26, [23])
atome27 = classes.Atome('C', 27, [22, 28, 28, 65])
atome28 = classes.Atome('C', 28, [27, 27, 29, 64])
atome29 = classes.Atome('C', 29, [28, 30, 30, 63])
atome30 = classes.Atome('C', 30, [29, 29, 31, 35])
atome31 = classes.Atome('C', 31, [30, 32, 33, 34])
atome32 = classes.Atome('H', 32, [31])
atome33 = classes.Atome('H', 33, [31])
atome34 = classes.Atome('H', 34, [31])
atome35 = classes.Atome('C', 35, [30, 36, 36, 62])
atome36 = classes.Atome('C', 36, [35, 35, 37, 61])
atome37 = classes.Atome('C', 37, [36, 38, 38, 52])
atome38 = classes.Atome('C', 38, [37, 37, 39, 43])
atome39 = classes.Atome('C', 39, [38, 40, 41, 42])
atome40 = classes.Atome('H', 40, [39])
atome41 = classes.Atome('H', 41, [39])
atome42 = classes.Atome('H', 42, [39])
atome43 = classes.Atome('C', 43, [38, 44, 45, 46])
atome44 = classes.Atome('H', 44, [43])
atome45 = classes.Atome('H', 45, [43])
atome46 = classes.Atome('C', 46, [43, 47, 48, 49])
atome47 = classes.Atome('H', 47, [46])
atome48 = classes.Atome('H', 48, [46])
atome49 = classes.Atome('C', 49, [46, 50, 51, 52])
atome50 = classes.Atome('H', 50, [49])
atome51 = classes.Atome('H', 51, [49])
atome52 = classes.Atome('C', 52, [37, 49, 53, 57])
atome53 = classes.Atome('C', 53, [52, 54, 55, 56])
atome54 = classes.Atome('H', 54, [53])
atome55 = classes.Atome('H', 55, [53])
atome56 = classes.Atome('H', 56, [53])
atome57 = classes.Atome('C', 57, [52, 58, 59, 60])
atome58 = classes.Atome('H', 58, [57])
atome59 = classes.Atome('H', 59, [57])
atome60 = classes.Atome('H', 60, [57])
atome61 = classes.Atome('H', 61, [36])
atome62 = classes.Atome('H', 62, [35])
atome63 = classes.Atome('H', 63, [29])
atome64 = classes.Atome('H', 64, [28])
atome65 = classes.Atome('H', 65, [27])
atome66 = classes.Atome('H', 66, [21])
atome67 = classes.Atome('H', 67, [20])
atome68 = classes.Atome('H', 68, [19])
atome69 = classes.Atome('H', 69, [18])
atome70 = classes.Atome('C', 70, [17, 71, 72, 73])
atome71 = classes.Atome('H', 71, [70])
atome72 = classes.Atome('H', 72, [70])
atome73 = classes.Atome('H', 73, [70])
atome74 = classes.Atome('H', 74, [16])
atome75 = classes.Atome('H', 75, [15])
atome76 = classes.Atome('H', 76, [14])
atome77 = classes.Atome('C', 77, [13, 78, 79, 80])
atome78 = classes.Atome('H', 78, [77])
atome79 = classes.Atome('H', 79, [77])
atome80 = classes.Atome('H', 80, [77])
atome81 = classes.Atome('H', 81, [12])
atome82 = classes.Atome('H', 82, [11])
atome83 = classes.Atome('C', 83, [10, 10, 84, 88])
atome84 = classes.Atome('C', 84, [83, 85, 86, 87])
atome85 = classes.Atome('H', 85, [84])
atome86 = classes.Atome('H', 86, [84])
atome87 = classes.Atome('H', 87, [84])
atome88 = classes.Atome('C', 88, [83, 89, 90, 91])
atome89 = classes.Atome('H', 89, [88])
atome90 = classes.Atome('H', 90, [88])
atome91 = classes.Atome('C', 91, [88, 92, 93, 94])
atome92 = classes.Atome('H', 92, [91])
atome93 = classes.Atome('H', 93, [91])
atome94 = classes.Atome('C', 94, [1, 91, 95, 96])
atome95 = classes.Atome('H', 95, [94])
atome96 = classes.Atome('H', 96, [94])

tableau_coeffs_HO = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6, atome7, atome8, atome9, atome10, atome11, atome12, atome13, atome14, atome15, atome16, atome17, atome18, atome19, atome20, atome21, atome22, atome23, atome24, atome25, atome26, atome27, atome28, atome29, atome30, atome31, atome32, atome33, atome34, atome35, atome36, atome37, atome38, atome39, atome40, atome41, atome42, atome43, atome44, atome45, atome46, atome47, atome48, atome49, atome50, atome51, atome52, atome53, atome54, atome55, atome56, atome57, atome58, atome59, atome60, atome61, atome62, atome63, atome64, atome65, atome66, atome67, atome68, atome69, atome70, atome71, atome72, atome73, atome74, atome75, atome76, atome77, atome78, atome79, atome80, atome81, atome82, atome83, atome84, atome85, atome86, atome87, atome88, atome89, atome90, atome91, atome92, atome93, atome94, atome95, atome96], [-0.00808, -0.00327, 0.00368, -0.00074, -0.00115, 0.01133, 0.00208, -0.00313, -0.00565, 0.04590, -0.15559, -0.09490, 0.20576, 0.16044, -0.23708, -0.19542, 0.25861, 0.24065, -0.25827, -0.26040, 0.25115, 0.27015, -0.03480, 0.06599, -0.01464, -0.05251, -0.18892, -0.21788, 0.14998, 0.18869, -0.02605, 0.03379, 0.02189, -0.05532, -0.09342, -0.15630, 0.05576, 0.07558, -0.00595, 0.00605, 0.01628, -0.02450, -0.01244, -0.02588, 0.01347, -0.00312, -0.00346, -0.00150, 0.00421, -0.00052, 0.00815, -0.01505, 0.00360, 0.00508, 0.00034, 0.00031, 0.00415, 0.00105, -0.00107, -0.00275, 0.01034, 0.01478, 0.00408, -0.00423, -0.00884, -0.00311, 0.00291, 0.00269, -0.00300, -0.03423, -0.01201, 0.06514, -0.05405, -0.00642, 0.00060, -0.00306, -0.02878, -0.03420, 0.05464, -0.02095, -0.01401, -0.00998, 0.05180, -0.00278, -0.00416, 0.02251, -0.01628, -0.00832, -0.02063, 0.02013, 0.00352, -0.00311, -0.00125, 0.00231, 0.00013, -0.00458])

tableau_coeffs_BV = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6, atome7, atome8, atome9, atome10, atome11, atome12, atome13, atome14, atome15, atome16, atome17, atome18, atome19, atome20, atome21, atome22, atome23, atome24, atome25, atome26, atome27, atome28, atome29, atome30, atome31, atome32, atome33, atome34, atome35, atome36, atome37, atome38, atome39, atome40, atome41, atome42, atome43, atome44, atome45, atome46, atome47, atome48, atome49, atome50, atome51, atome52, atome53, atome54, atome55, atome56, atome57, atome58, atome59, atome60, atome61, atome62, atome63, atome64, atome65, atome66, atome67, atome68, atome69, atome70, atome71, atome72, atome73, atome74, atome75, atome76, atome77, atome78, atome79, atome80, atome81, atome82, atome83, atome84, atome85, atome86, atome87, atome88, atome89, atome90, atome91, atome92, atome93, atome94, atome95, atome96], [0.01264, -0.00068, -0.00160, 0.00249, 0.00082, 0.00376, -0.00136, 0.00011, -0.00087, 0.02143, 0.14690, -0.07672, -0.20689, 0.13911, 0.25045, -0.20226, -0.27243, 0.24003, 0.27388, -0.27539, -0.24972, 0.28478, -0.00498, 0.06200, -0.01111, -0.05011, 0.18947, -0.23013, -0.12612, 0.18791, 0.00181, 0.03058, 0.01704, -0.04769, 0.07539, -0.14464, -0.02722, 0.05764, -0.00007, 0.00710, 0.00799, -0.01558, -0.00200, -0.01632, 0.00858, -0.00209, -0.00041, -0.00034, 0.00117, -0.00070, 0.00396, -0.00740, -0.00404, 0.00161, -0.00016, -0.00372, -0.00380, 0.00489, -0.00096, -0.00082, -0.00486, 0.01177, 0.00379, 0.00174, -0.00851, -0.00303, -0.00191, 0.00184, 0.00270, 0.00124, 0.00971, -0.06134, 0.05122, 0.00668, 0.00010, 0.00265, -0.00094, 0.03092, -0.04763, 0.01659, 0.01131, -0.00421, -0.03932, -0.00025, 0.00597, -0.01419, 0.00802, 0.00121, 0.01248, -0.01256, -0.00237, 0.00050, 0.00105, -0.00048, 0.00064, 0.00297])

HO = classes.Orbitale_moleculaire(-7.635247, tableau_coeffs_HO, 'HO')

BV = classes.Orbitale_moleculaire(-0.943963, tableau_coeffs_BV, 'BV')

molecule = classes.Molecule('bêta-carotène', HO, BV)