name = 'ATP'

P_alpha = Atom('P')
P_beta = Atom('P')
P_gamma = Atom('P')
C_5p = Atom('C')
O_5p = Atom('O')
C_4p = Atom('C')
O_4p = Atom('O')
C_3p = Atom('C')
O_3p = Atom('O')
C_2p = Atom('C')
O_2p = Atom('O')
C_1p = Atom('C')
N_1 = Atom('N')
O_alpha_1 = Atom('O')
O_beta_1 = Atom('O')
O_gamma_1 = Atom('O')
C_2 = Atom('C')
O_alpha_2 = Atom('O')
O_beta_2 = Atom('O')
O_gamma_2 = Atom('O')
N_3 = Atom('N')
O_alpha_3 = Atom('O')
O_beta_3 = Atom('O')
O_gamma_3 = Atom('O')
C_4 = Atom('C')
C_5 = Atom('C')
C_6 = Atom('C')
N_6 = Atom('N')
N_7 = Atom('N')
C_8 = Atom('C')
N_9 = Atom('N')

bonds = [Bond(P_alpha, O_5p), Bond(P_alpha, O_alpha_1), Bond(P_alpha, O_alpha_2), Bond(P_alpha, O_alpha_3), Bond(P_beta, O_beta_1), Bond(P_beta, O_beta_2), Bond(P_beta, O_alpha_3), Bond(P_beta, O_beta_3), Bond(P_gamma, O_gamma_1), Bond(P_gamma, O_gamma_2), Bond(P_gamma, O_beta_3), Bond(P_gamma, O_gamma_3), Bond(C_5p, O_5p), Bond(C_5p, C_4p), Bond(C_4p, O_4p), Bond(C_4p, C_3p), Bond(O_4p, C_1p), Bond(C_3p, O_3p), Bond(C_3p, C_2p), Bond(C_2p, O_2p), Bond(C_2p, C_1p), Bond(C_1p, N_9), Bond(N_1, C_2), Bond(N_1, C_6), Bond(C_2, N_3), Bond(N_3, C_4), Bond(C_4, C_5), Bond(C_4, N_9), Bond(C_5, C_6), Bond(C_5, N_7), Bond(C_6, N_6), Bond(N_7, C_8), Bond(C_8, N_9)]

pdbmap = [("ATP", {"PA": P_alpha, "PB": P_beta, "PG": P_gamma, "C5'": C_5p, "O5'": O_5p, "C4'": C_4p, "O4'": O_4p, "C3'": C_3p, "O3'": O_3p, "C2'": C_2p, "O2'": O_2p, "C1'": C_1p, "N1": N_1, "O1A": O_alpha_1, "O1B": O_beta_1, "O1G": O_gamma_1, "C2": C_2, "O2A": O_alpha_2, "O2B": O_beta_2, "O2G": O_gamma_2, "N3": N_3, "O3A": O_alpha_3, "O3B": O_beta_3, "O3G": O_gamma_3, "C4": C_4, "C5": C_5, "C6": C_6, "N6": N_6, "N7": N_7, "C8": C_8, "N9": N_9})]
