# By name and displacement "01_1y-": 01_Water-Water_1_y_-30.xyz "01_1y+": 01_Water-Water_1_y_+30.xyz "01_1z-": 01_Water-Water_1_z_-30.xyz "01_1z+": 01_Water-Water_1_z_+30.xyz "01_2y-": 01_Water-Water_2_y_-30.xyz "01_2y+": 01_Water-Water_2_y_+30.xyz "01_2z-": 01_Water-Water_2_z_-30.xyz "01_2z+": 01_Water-Water_2_z_+30.xyz "02_1y-": 02_Water-MeOH_1_y_-30.xyz "02_1y+": 02_Water-MeOH_1_y_+30.xyz "02_1z-": 02_Water-MeOH_1_z_-30.xyz "02_1z+": 02_Water-MeOH_1_z_+30.xyz "02_2y-": 02_Water-MeOH_2_y_-30.xyz "02_2y+": 02_Water-MeOH_2_y_+30.xyz "02_2z-": 02_Water-MeOH_2_z_-30.xyz "02_2z+": 02_Water-MeOH_2_z_+30.xyz "03_1y-": 03_Water-MeNH2_1_y_-30.xyz "03_1y+": 03_Water-MeNH2_1_y_+30.xyz "03_1z-": 03_Water-MeNH2_1_z_-30.xyz "03_1z+": 03_Water-MeNH2_1_z_+30.xyz "03_2y-": 03_Water-MeNH2_2_y_-30.xyz "03_2y+": 03_Water-MeNH2_2_y_+30.xyz "03_2z-": 03_Water-MeNH2_2_z_-30.xyz "03_2z+": 03_Water-MeNH2_2_z_+30.xyz "04_1y-": 04_Water-Peptide_1_y_-30.xyz "04_1y+": 04_Water-Peptide_1_y_+30.xyz "04_1z-": 04_Water-Peptide_1_z_-30.xyz "04_1z+": 04_Water-Peptide_1_z_+30.xyz "04_2y-": 04_Water-Peptide_2_y_-30.xyz "04_2y+": 04_Water-Peptide_2_y_+30.xyz "04_2z-": 04_Water-Peptide_2_z_-30.xyz "04_2z+": 04_Water-Peptide_2_z_+30.xyz "05_1y-": 05_MeOH-MeOH_1_y_-30.xyz "05_1y+": 05_MeOH-MeOH_1_y_+30.xyz "05_1z-": 05_MeOH-MeOH_1_z_-30.xyz "05_1z+": 05_MeOH-MeOH_1_z_+30.xyz "05_2y-": 05_MeOH-MeOH_2_y_-30.xyz "05_2y+": 05_MeOH-MeOH_2_y_+30.xyz "05_2z-": 05_MeOH-MeOH_2_z_-30.xyz "05_2z+": 05_MeOH-MeOH_2_z_+30.xyz "06_1y-": 06_MeOH-MeNH2_1_y_-30.xyz "06_1y+": 06_MeOH-MeNH2_1_y_+30.xyz "06_1z-": 06_MeOH-MeNH2_1_z_-30.xyz "06_1z+": 06_MeOH-MeNH2_1_z_+30.xyz "06_2y-": 06_MeOH-MeNH2_2_y_-30.xyz "06_2y+": 06_MeOH-MeNH2_2_y_+30.xyz "06_2z-": 06_MeOH-MeNH2_2_z_-30.xyz "06_2z+": 06_MeOH-MeNH2_2_z_+30.xyz "07_1y-": 07_MeOH-Peptide_1_y_-30.xyz "07_1y+": 07_MeOH-Peptide_1_y_+30.xyz "07_1z-": 07_MeOH-Peptide_1_z_-30.xyz "07_1z+": 07_MeOH-Peptide_1_z_+30.xyz "07_2y-": 07_MeOH-Peptide_2_y_-30.xyz "07_2y+": 07_MeOH-Peptide_2_y_+30.xyz "07_2z-": 07_MeOH-Peptide_2_z_-30.xyz "07_2z+": 07_MeOH-Peptide_2_z_+30.xyz "08_1y-": 08_MeOH-Water_1_y_-30.xyz "08_1y+": 08_MeOH-Water_1_y_+30.xyz "08_1z-": 08_MeOH-Water_1_z_-30.xyz "08_1z+": 08_MeOH-Water_1_z_+30.xyz "08_2y-": 08_MeOH-Water_2_y_-30.xyz "08_2y+": 08_MeOH-Water_2_y_+30.xyz "08_2z-": 08_MeOH-Water_2_z_-30.xyz "08_2z+": 08_MeOH-Water_2_z_+30.xyz "09_1y-": 09_MeNH2-MeOH_1_y_-30.xyz "09_1y+": 09_MeNH2-MeOH_1_y_+30.xyz "09_1z-": 09_MeNH2-MeOH_1_z_-30.xyz "09_1z+": 09_MeNH2-MeOH_1_z_+30.xyz "09_2y-": 09_MeNH2-MeOH_2_y_-30.xyz "09_2y+": 09_MeNH2-MeOH_2_y_+30.xyz "09_2z-": 09_MeNH2-MeOH_2_z_-30.xyz "09_2z+": 09_MeNH2-MeOH_2_z_+30.xyz "10_1y-": 10_MeNH2-MeNH2_1_y_-30.xyz "10_1y+": 10_MeNH2-MeNH2_1_y_+30.xyz "10_1z-": 10_MeNH2-MeNH2_1_z_-30.xyz "10_1z+": 10_MeNH2-MeNH2_1_z_+30.xyz "10_2y-": 10_MeNH2-MeNH2_2_y_-30.xyz "10_2y+": 10_MeNH2-MeNH2_2_y_+30.xyz "10_2z-": 10_MeNH2-MeNH2_2_z_-30.xyz "10_2z+": 10_MeNH2-MeNH2_2_z_+30.xyz "11_1y-": 11_MeNH2-Peptide_1_y_-30.xyz "11_1y+": 11_MeNH2-Peptide_1_y_+30.xyz "11_1z-": 11_MeNH2-Peptide_1_z_-30.xyz "11_1z+": 11_MeNH2-Peptide_1_z_+30.xyz "11_2y-": 11_MeNH2-Peptide_2_y_-30.xyz "11_2y+": 11_MeNH2-Peptide_2_y_+30.xyz "11_2z-": 11_MeNH2-Peptide_2_z_-30.xyz "11_2z+": 11_MeNH2-Peptide_2_z_+30.xyz "12_1y-": 12_MeNH2-Water_1_y_-30.xyz "12_1y+": 12_MeNH2-Water_1_y_+30.xyz "12_1z-": 12_MeNH2-Water_1_z_-30.xyz "12_1z+": 12_MeNH2-Water_1_z_+30.xyz "12_2y-": 12_MeNH2-Water_2_y_-30.xyz "12_2y+": 12_MeNH2-Water_2_y_+30.xyz "12_2z-": 12_MeNH2-Water_2_z_-30.xyz "12_2z+": 12_MeNH2-Water_2_z_+30.xyz "13_1y-": 13_Peptide-MeOH_1_y_-30.xyz "13_1y+": 13_Peptide-MeOH_1_y_+30.xyz "13_1z-": 13_Peptide-MeOH_1_z_-30.xyz "13_1z+": 13_Peptide-MeOH_1_z_+30.xyz "13_2y-": 13_Peptide-MeOH_2_y_-30.xyz "13_2y+": 13_Peptide-MeOH_2_y_+30.xyz "13_2z-": 13_Peptide-MeOH_2_z_-30.xyz "13_2z+": 13_Peptide-MeOH_2_z_+30.xyz "14_1y-": 14_Peptide-MeNH2_1_y_-30.xyz "14_1y+": 14_Peptide-MeNH2_1_y_+30.xyz "14_1z-": 14_Peptide-MeNH2_1_z_-30.xyz "14_1z+": 14_Peptide-MeNH2_1_z_+30.xyz "14_2y-": 14_Peptide-MeNH2_2_y_-30.xyz "14_2y+": 14_Peptide-MeNH2_2_y_+30.xyz "14_2z-": 14_Peptide-MeNH2_2_z_-30.xyz "14_2z+": 14_Peptide-MeNH2_2_z_+30.xyz "15_1y-": 15_Peptide-Peptide_1_y_-30.xyz "15_1y+": 15_Peptide-Peptide_1_y_+30.xyz "15_1z-": 15_Peptide-Peptide_1_z_-30.xyz "15_1z+": 15_Peptide-Peptide_1_z_+30.xyz "15_2y-": 15_Peptide-Peptide_2_y_-30.xyz "15_2y+": 15_Peptide-Peptide_2_y_+30.xyz "15_2z-": 15_Peptide-Peptide_2_z_-30.xyz "15_2z+": 15_Peptide-Peptide_2_z_+30.xyz "16_1y-": 16_Peptide-Water_1_y_-30.xyz "16_1y+": 16_Peptide-Water_1_y_+30.xyz "16_1z-": 16_Peptide-Water_1_z_-30.xyz "16_1z+": 16_Peptide-Water_1_z_+30.xyz "16_2y-": 16_Peptide-Water_2_y_-30.xyz "16_2y+": 16_Peptide-Water_2_y_+30.xyz "16_2z-": 16_Peptide-Water_2_z_-30.xyz "16_2z+": 16_Peptide-Water_2_z_+30.xyz "17_1y-": 17_Uracil-Uracil_BP_1_y_-30.xyz "17_1y+": 17_Uracil-Uracil_BP_1_y_+30.xyz "17_1z-": 17_Uracil-Uracil_BP_1_z_-30.xyz "17_1z+": 17_Uracil-Uracil_BP_1_z_+30.xyz "17_2y-": 17_Uracil-Uracil_BP_2_y_-30.xyz "17_2y+": 17_Uracil-Uracil_BP_2_y_+30.xyz "17_2z-": 17_Uracil-Uracil_BP_2_z_-30.xyz "17_2z+": 17_Uracil-Uracil_BP_2_z_+30.xyz "18_1y-": 18_Water-Pyridine_1_y_-30.xyz "18_1y+": 18_Water-Pyridine_1_y_+30.xyz "18_1z-": 18_Water-Pyridine_1_z_-30.xyz "18_1z+": 18_Water-Pyridine_1_z_+30.xyz "18_2y-": 18_Water-Pyridine_2_y_-30.xyz "18_2y+": 18_Water-Pyridine_2_y_+30.xyz "18_2z-": 18_Water-Pyridine_2_z_-30.xyz "18_2z+": 18_Water-Pyridine_2_z_+30.xyz "19_1y-": 19_MeOH-Pyridine_1_y_-30.xyz "19_1y+": 19_MeOH-Pyridine_1_y_+30.xyz "19_1z-": 19_MeOH-Pyridine_1_z_-30.xyz "19_1z+": 19_MeOH-Pyridine_1_z_+30.xyz "19_2y-": 19_MeOH-Pyridine_2_y_-30.xyz "19_2y+": 19_MeOH-Pyridine_2_y_+30.xyz "19_2z-": 19_MeOH-Pyridine_2_z_-30.xyz "19_2z+": 19_MeOH-Pyridine_2_z_+30.xyz "20_1y-": 20_AcOH-AcOH_1_y_-30.xyz "20_1y+": 20_AcOH-AcOH_1_y_+30.xyz "20_1z-": 20_AcOH-AcOH_1_z_-30.xyz "20_1z+": 20_AcOH-AcOH_1_z_+30.xyz "20_2y-": 20_AcOH-AcOH_2_y_-30.xyz "20_2y+": 20_AcOH-AcOH_2_y_+30.xyz "20_2z-": 20_AcOH-AcOH_2_z_-30.xyz "20_2z+": 20_AcOH-AcOH_2_z_+30.xyz "21_1y-": 21_AcNH2-AcNH2_1_y_-30.xyz "21_1y+": 21_AcNH2-AcNH2_1_y_+30.xyz "21_1z-": 21_AcNH2-AcNH2_1_z_-30.xyz "21_1z+": 21_AcNH2-AcNH2_1_z_+30.xyz "21_2y-": 21_AcNH2-AcNH2_2_y_-30.xyz "21_2y+": 21_AcNH2-AcNH2_2_y_+30.xyz "21_2z-": 21_AcNH2-AcNH2_2_z_-30.xyz "21_2z+": 21_AcNH2-AcNH2_2_z_+30.xyz "22_1y-": 22_AcOH-Uracil_1_y_-30.xyz "22_1y+": 22_AcOH-Uracil_1_y_+30.xyz "22_1z-": 22_AcOH-Uracil_1_z_-30.xyz "22_1z+": 22_AcOH-Uracil_1_z_+30.xyz "22_2y-": 22_AcOH-Uracil_2_y_-30.xyz "22_2y+": 22_AcOH-Uracil_2_y_+30.xyz "22_2z-": 22_AcOH-Uracil_2_z_-30.xyz "22_2z+": 22_AcOH-Uracil_2_z_+30.xyz "23_1y-": 23_AcNH2-Uracil_1_y_-30.xyz "23_1y+": 23_AcNH2-Uracil_1_y_+30.xyz "23_1z-": 23_AcNH2-Uracil_1_z_-30.xyz "23_1z+": 23_AcNH2-Uracil_1_z_+30.xyz "23_2y-": 23_AcNH2-Uracil_2_y_-30.xyz "23_2y+": 23_AcNH2-Uracil_2_y_+30.xyz "23_2z-": 23_AcNH2-Uracil_2_z_-30.xyz "23_2z+": 23_AcNH2-Uracil_2_z_+30.xyz "24_1y-": 24_Benzene-Benzene_pi-pi_1_y_-30.xyz "24_1y+": 24_Benzene-Benzene_pi-pi_1_y_+30.xyz "24_1z-": 24_Benzene-Benzene_pi-pi_1_z_-30.xyz "24_1z+": 24_Benzene-Benzene_pi-pi_1_z_+30.xyz "24_2y-": 24_Benzene-Benzene_pi-pi_2_y_-30.xyz "24_2y+": 24_Benzene-Benzene_pi-pi_2_y_+30.xyz "24_2z-": 24_Benzene-Benzene_pi-pi_2_z_-30.xyz "24_2z+": 24_Benzene-Benzene_pi-pi_2_z_+30.xyz "25_1y-": 25_Pyridine-Pyridine_pi-pi_1_y_-30.xyz "25_1y+": 25_Pyridine-Pyridine_pi-pi_1_y_+30.xyz "25_1z-": 25_Pyridine-Pyridine_pi-pi_1_z_-30.xyz "25_1z+": 25_Pyridine-Pyridine_pi-pi_1_z_+30.xyz "25_2y-": 25_Pyridine-Pyridine_pi-pi_2_y_-30.xyz "25_2y+": 25_Pyridine-Pyridine_pi-pi_2_y_+30.xyz "25_2z-": 25_Pyridine-Pyridine_pi-pi_2_z_-30.xyz "25_2z+": 25_Pyridine-Pyridine_pi-pi_2_z_+30.xyz "26_1y-": 26_Uracil-Uracil_pi-pi_1_y_-30.xyz "26_1y+": 26_Uracil-Uracil_pi-pi_1_y_+30.xyz "26_1z-": 26_Uracil-Uracil_pi-pi_1_z_-30.xyz "26_1z+": 26_Uracil-Uracil_pi-pi_1_z_+30.xyz "26_2y-": 26_Uracil-Uracil_pi-pi_2_y_-30.xyz "26_2y+": 26_Uracil-Uracil_pi-pi_2_y_+30.xyz "26_2z-": 26_Uracil-Uracil_pi-pi_2_z_-30.xyz "26_2z+": 26_Uracil-Uracil_pi-pi_2_z_+30.xyz "27_1y-": 27_Benzene-Pyridine_pi-pi_1_y_-30.xyz "27_1y+": 27_Benzene-Pyridine_pi-pi_1_y_+30.xyz "27_1z-": 27_Benzene-Pyridine_pi-pi_1_z_-30.xyz "27_1z+": 27_Benzene-Pyridine_pi-pi_1_z_+30.xyz "27_2y-": 27_Benzene-Pyridine_pi-pi_2_y_-30.xyz "27_2y+": 27_Benzene-Pyridine_pi-pi_2_y_+30.xyz "27_2z-": 27_Benzene-Pyridine_pi-pi_2_z_-30.xyz "27_2z+": 27_Benzene-Pyridine_pi-pi_2_z_+30.xyz "28_1y-": 28_Benzene-Uracil_pi-pi_1_y_-30.xyz "28_1y+": 28_Benzene-Uracil_pi-pi_1_y_+30.xyz "28_1z-": 28_Benzene-Uracil_pi-pi_1_z_-30.xyz "28_1z+": 28_Benzene-Uracil_pi-pi_1_z_+30.xyz "28_2y-": 28_Benzene-Uracil_pi-pi_2_y_-30.xyz "28_2y+": 28_Benzene-Uracil_pi-pi_2_y_+30.xyz "28_2z-": 28_Benzene-Uracil_pi-pi_2_z_-30.xyz "28_2z+": 28_Benzene-Uracil_pi-pi_2_z_+30.xyz "29_1y-": 29_Pyridine-Uracil_pi-pi_1_y_-30.xyz "29_1y+": 29_Pyridine-Uracil_pi-pi_1_y_+30.xyz "29_1z-": 29_Pyridine-Uracil_pi-pi_1_z_-30.xyz "29_1z+": 29_Pyridine-Uracil_pi-pi_1_z_+30.xyz "29_2y-": 29_Pyridine-Uracil_pi-pi_2_y_-30.xyz "29_2y+": 29_Pyridine-Uracil_pi-pi_2_y_+30.xyz "29_2z-": 29_Pyridine-Uracil_pi-pi_2_z_-30.xyz "29_2z+": 29_Pyridine-Uracil_pi-pi_2_z_+30.xyz "30_1y-": 30_Benzene-Ethene_1_y_-30.xyz "30_1y+": 30_Benzene-Ethene_1_y_+30.xyz "30_1z-": 30_Benzene-Ethene_1_z_-30.xyz "30_1z+": 30_Benzene-Ethene_1_z_+30.xyz "30_2y-": 30_Benzene-Ethene_2_y_-30.xyz "30_2y+": 30_Benzene-Ethene_2_y_+30.xyz "30_2z-": 30_Benzene-Ethene_2_z_-30.xyz "30_2z+": 30_Benzene-Ethene_2_z_+30.xyz "31_1y-": 31_Uracil-Ethene_1_y_-30.xyz "31_1y+": 31_Uracil-Ethene_1_y_+30.xyz "31_1z-": 31_Uracil-Ethene_1_z_-30.xyz "31_1z+": 31_Uracil-Ethene_1_z_+30.xyz "31_2y-": 31_Uracil-Ethene_2_y_-30.xyz "31_2y+": 31_Uracil-Ethene_2_y_+30.xyz "31_2z-": 31_Uracil-Ethene_2_z_-30.xyz "31_2z+": 31_Uracil-Ethene_2_z_+30.xyz "32_1y-": 32_Uracil-Ethyne_1_y_-30.xyz "32_1y+": 32_Uracil-Ethyne_1_y_+30.xyz "32_1z-": 32_Uracil-Ethyne_1_z_-30.xyz "32_1z+": 32_Uracil-Ethyne_1_z_+30.xyz "32_2y-": 32_Uracil-Ethyne_2_y_-30.xyz "32_2y+": 32_Uracil-Ethyne_2_y_+30.xyz "32_2z-": 32_Uracil-Ethyne_2_z_-30.xyz "32_2z+": 32_Uracil-Ethyne_2_z_+30.xyz "33_1y-": 33_Pyridine-Ethene_1_y_-30.xyz "33_1y+": 33_Pyridine-Ethene_1_y_+30.xyz "33_1z-": 33_Pyridine-Ethene_1_z_-30.xyz "33_1z+": 33_Pyridine-Ethene_1_z_+30.xyz "33_2y-": 33_Pyridine-Ethene_2_y_-30.xyz "33_2y+": 33_Pyridine-Ethene_2_y_+30.xyz "33_2z-": 33_Pyridine-Ethene_2_z_-30.xyz "33_2z+": 33_Pyridine-Ethene_2_z_+30.xyz "34_1y-": 34_Pentane-Pentane_1_y_-30.xyz "34_1y+": 34_Pentane-Pentane_1_y_+30.xyz "34_1z-": 34_Pentane-Pentane_1_z_-30.xyz "34_1z+": 34_Pentane-Pentane_1_z_+30.xyz "34_2y-": 34_Pentane-Pentane_2_y_-30.xyz "34_2y+": 34_Pentane-Pentane_2_y_+30.xyz "34_2z-": 34_Pentane-Pentane_2_z_-30.xyz "34_2z+": 34_Pentane-Pentane_2_z_+30.xyz "35_1y-": 35_Neopentane-Pentane_1_y_-30.xyz "35_1y+": 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