A1H23
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAJ | sing | 1.31Å | 1.35Å | |
| CAJ | CAK | doub | 1.41Å | 1.36Å | Aromatic |
| CAG | CAK | sing | 1.41Å | 1.40Å | Aromatic |
| CAG | CAI | doub | 1.37Å | 1.36Å | Aromatic |
| CAI | CAL | sing | 1.41Å | 1.41Å | Aromatic |
| CAF | CAL | doub | 1.41Å | 1.39Å | Aromatic |
| CAD | CAF | sing | 1.36Å | 1.35Å | Aromatic |
| CAD | CAE | doub | 1.41Å | 1.39Å | Aromatic |
| CAE | NAH | sing | 1.32Å | 1.33Å | Aromatic |
| NAH | CAM | doub | 1.36Å | 1.38Å | Aromatic |
| CAJ | CAM | sing | 1.46Å | 1.41Å | Aromatic |
| CAL | CAM | sing | 1.41Å | 1.42Å | Aromatic |
| V | NAH | doub | 2.17Å | 1.96Å | |
| V | OAA | sing | 1.62Å | 1.75Å | |
| V | O1 | doub | 1.60Å | 1.67Å | |
| V | O2 | sing | 1.61Å | 1.95Å | |
| OBA | CBJ | sing | 1.32Å | 1.35Å | |
| CBJ | CBK | doub | 1.41Å | 1.37Å | Aromatic |
| CBG | CBK | sing | 1.41Å | 1.41Å | Aromatic |
| CBG | CBI | doub | 1.37Å | 1.36Å | Aromatic |
| CBI | CBL | sing | 1.41Å | 1.41Å | Aromatic |
| CBF | CBL | doub | 1.41Å | 1.39Å | Aromatic |
| CBD | CBF | sing | 1.36Å | 1.35Å | Aromatic |
| CBD | CBE | doub | 1.41Å | 1.39Å | Aromatic |
| CBE | NBH | sing | 1.32Å | 1.33Å | Aromatic |
| NBH | CBM | doub | 1.36Å | 1.38Å | Aromatic |
| CBJ | CBM | sing | 1.46Å | 1.41Å | Aromatic |
| CBL | CBM | sing | 1.41Å | 1.42Å | Aromatic |
| V | NBH | doub | 2.15Å | 1.96Å | |
| V | OBA | sing | 1.62Å | 1.76Å | |
| CAD | H2 | sing | 0.94Å | 1.08Å | |
| CAE | H3 | sing | 0.94Å | 1.08Å | |
| CAF | H4 | sing | 0.94Å | 1.08Å | |
| CAG | H5 | sing | 0.94Å | 1.08Å | |
| CAI | H6 | sing | 0.94Å | 1.08Å | |
| CAK | H7 | sing | 0.94Å | 1.08Å | |
| CBD | H8 | sing | 0.94Å | 1.08Å | |
| CBE | H9 | sing | 0.94Å | 1.08Å | |
| CBF | H10 | sing | 0.94Å | 1.08Å | |
| CBG | H11 | sing | 0.94Å | 1.08Å | |
| CBI | H12 | sing | 0.94Å | 1.08Å | |
| CBK | H13 | sing | 0.94Å | 1.08Å | |
| H1 | O2 | sing | 0.86Å | 0.95Å | |
| H14 | O2 | sing | 0.86Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAJ | CAK | 122.3° | 123.6° |
| OAA | CAJ | CAM | 117.7° | 119.0° |
| CAJ | OAA | V | 109.6° | 115.6° |
| CAJ | CAK | CAG | 120.3° | 120.7° |
| CAK | CAJ | CAM | 120.1° | 117.4° |
| CAJ | CAK | H7 | 119.9° | 118.9° |
| CAK | CAG | CAI | 121.8° | 121.5° |
| CAK | CAG | H5 | 119.1° | 119.0° |
| CAG | CAK | H7 | 119.9° | 120.4° |
| CAG | CAI | CAL | 118.8° | 120.6° |
| CAI | CAG | H5 | 119.1° | 119.5° |
| CAG | CAI | H6 | 120.6° | 119.6° |
| CAI | CAL | CAF | 128.0° | 122.9° |
| CAI | CAL | CAM | 120.2° | 119.2° |
| CAL | CAI | H6 | 120.6° | 119.8° |
| CAL | CAF | CAD | 126.7° | 119.0° |
| CAF | CAL | CAM | 111.7° | 117.9° |
| CAL | CAF | H4 | 116.6° | 120.3° |
| CAF | CAD | CAE | 117.5° | 119.0° |
| CAF | CAD | H2 | 121.2° | 120.6° |
| CAD | CAF | H4 | 116.7° | 120.7° |
| CAD | CAE | NAH | 120.4° | 124.0° |
| CAE | CAD | H2 | 121.3° | 120.3° |
| CAD | CAE | H3 | 119.8° | 118.3° |
| CAE | NAH | CAM | 120.4° | 117.3° |
| CAE | NAH | V | 137.2° | 143.8° |
| NAH | CAE | H3 | 119.8° | 117.7° |
| NAH | CAM | CAJ | 118.0° | 116.6° |
| NAH | CAM | CAL | 123.3° | 122.8° |
| CAM | NAH | V | 102.4° | 98.9° |
| CAJ | CAM | CAL | 118.8° | 120.6° |
| NAH | V | OAA | 92.4° | 89.9° |
| NAH | V | O1 | 90.3° | 89.2° |
| NAH | V | O2 | 176.7° | 168.2° |
| NAH | V | NBH | 90.7° | 76.7° |
| NAH | V | OBA | 83.1° | 87.8° |
| OAA | V | O1 | 92.0° | 90.8° |
| OAA | V | O2 | 90.6° | 92.2° |
| OAA | V | NBH | 86.4° | 92.3° |
| OAA | V | OBA | 174.8° | 175.7° |
| O1 | V | O2 | 90.9° | 102.5° |
| O1 | V | NBH | 178.1° | 165.5° |
| O1 | V | OBA | 90.7° | 85.5° |
| O2 | V | NBH | 88.1° | 91.5° |
| O2 | V | OBA | 93.7° | 90.8° |
| V | O2 | H1 | 109.5° | 112.1° |
| V | O2 | H14 | 109.5° | 111.1° |
| OBA | CBJ | CBK | 123.4° | 123.7° |
| OBA | CBJ | CBM | 116.7° | 119.0° |
| CBJ | OBA | V | 111.1° | 114.6° |
| CBJ | CBK | CBG | 120.7° | 120.7° |
| CBK | CBJ | CBM | 119.9° | 117.4° |
| CBJ | CBK | H13 | 119.6° | 118.9° |
| CBK | CBG | CBI | 121.5° | 121.5° |
| CBK | CBG | H11 | 119.3° | 119.0° |
| CBG | CBK | H13 | 119.6° | 120.4° |
| CBG | CBI | CBL | 118.6° | 120.6° |
| CBI | CBG | H11 | 119.3° | 119.5° |
| CBG | CBI | H12 | 120.7° | 119.6° |
| CBI | CBL | CBF | 127.9° | 122.9° |
| CBI | CBL | CBM | 120.7° | 119.2° |
| CBL | CBI | H12 | 120.7° | 119.8° |
| CBL | CBF | CBD | 126.6° | 119.0° |
| CBF | CBL | CBM | 111.4° | 117.8° |
| CBL | CBF | H10 | 116.7° | 120.3° |
| CBF | CBD | CBE | 117.8° | 119.0° |
| CBF | CBD | H8 | 121.1° | 120.6° |
| CBD | CBF | H10 | 116.7° | 120.7° |
| CBD | CBE | NBH | 120.6° | 123.9° |
| CBE | CBD | H8 | 121.1° | 120.4° |
| CBD | CBE | H9 | 119.7° | 118.3° |
| CBE | NBH | CBM | 119.8° | 117.5° |
| CBE | NBH | V | 136.6° | 143.6° |
| NBH | CBE | H9 | 119.7° | 117.8° |
| NBH | CBM | CBJ | 117.6° | 116.7° |
| NBH | CBM | CBL | 123.8° | 122.7° |
| CBM | NBH | V | 103.6° | 98.8° |
| CBJ | CBM | CBL | 118.6° | 120.6° |
| NBH | V | OBA | 91.0° | 90.7° |
| H1 | O2 | H14 | 109.5° | 107.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAJ | CAK | CAM | 178.5° | 180.0° |
| OAA | CAJ | CAK | CAG | 179.2° | 180.0° |
| OAA | CAJ | CAM | NAH | 0.9° | 0.0° |
| OAA | CAJ | CAM | CAL | 179.4° | 180.0° |
| CAJ | OAA | V | NAH | 1.4° | 0.8° |
| CAJ | OAA | V | O1 | 91.8° | 90.0° |
| CAJ | OAA | V | O2 | 177.2° | 167.5° |
| CAJ | OAA | V | NBH | 89.2° | 75.9° |
| CAJ | OAA | V | OBA | 29.6° | 58.2° |
| OAA | CAJ | CAK | H7 | 0.8° | 0.1° |
| CAJ | CAK | CAG | H7 | 180.0° | 180.0° |
| CAJ | CAK | CAG | CAI | 1.0° | 0.0° |
| CAK | CAJ | CAM | NAH | 179.5° | 180.0° |
| CAK | CAJ | CAM | CAL | 0.9° | 0.0° |
| CAK | CAJ | OAA | V | 179.8° | 179.2° |
| CAJ | CAK | CAG | H5 | 179.0° | 180.0° |
| CAK | CAG | CAI | H5 | 180.0° | 180.0° |
| CAK | CAG | CAI | CAL | 1.5° | 0.0° |
| CAG | CAK | CAJ | CAM | 0.7° | 0.0° |
| CAK | CAG | CAI | H6 | 178.4° | 180.0° |
| CAG | CAI | CAL | H6 | 180.0° | 179.9° |
| CAG | CAI | CAL | CAF | 179.5° | 180.0° |
| CAG | CAI | CAL | CAM | 1.7° | 0.1° |
| CAI | CAG | CAK | H7 | 179.0° | 180.0° |
| CAI | CAL | CAF | CAM | 177.9° | 179.9° |
| CAI | CAL | CAF | CAD | 179.3° | 180.0° |
| CAI | CAL | CAM | NAH | 179.0° | 179.9° |
| CAI | CAL | CAM | CAJ | 1.4° | 0.0° |
| CAI | CAL | CAF | H4 | 0.7° | 0.1° |
| CAL | CAI | CAG | H5 | 178.5° | 180.0° |
| CAL | CAF | CAD | H4 | 180.0° | 179.9° |
| CAL | CAF | CAD | CAE | 0.8° | 0.1° |
| CAF | CAL | CAM | NAH | 0.9° | 0.0° |
| CAF | CAL | CAM | CAJ | 179.5° | 179.9° |
| CAL | CAF | CAD | H2 | 179.2° | 180.0° |
| CAF | CAL | CAI | H6 | 0.5° | 0.1° |
| CAF | CAD | CAE | H2 | 180.0° | 180.0° |
| CAF | CAD | CAE | NAH | 0.4° | 0.1° |
| CAD | CAF | CAL | CAM | 1.4° | 0.1° |
| CAF | CAD | CAE | H3 | 179.6° | 179.9° |
| CAD | CAE | NAH | H3 | 180.0° | 179.8° |
| CAD | CAE | NAH | CAM | 0.9° | 0.2° |
| CAD | CAE | NAH | V | 179.8° | 179.1° |
| CAE | CAD | CAF | H4 | 179.2° | 179.9° |
| CAE | NAH | CAM | V | 179.2° | 179.6° |
| CAE | NAH | CAM | CAJ | 179.5° | 179.9° |
| CAE | NAH | CAM | CAL | 0.2° | 0.1° |
| CAE | NAH | V | OAA | 179.9° | 179.9° |
| CAE | NAH | V | O1 | 88.0° | 89.1° |
| CAE | NAH | V | O2 | 24.0° | 80.0° |
| CAE | NAH | V | NBH | 93.5° | 87.7° |
| CAE | NAH | V | OBA | 2.6° | 3.5° |
| NAH | CAE | CAD | H2 | 179.6° | 179.9° |
| NAH | CAM | CAJ | CAL | 179.7° | 180.0° |
| CAM | NAH | V | OAA | 0.9° | 0.7° |
| CAM | NAH | V | O1 | 93.0° | 91.6° |
| CAM | NAH | V | O2 | 155.0° | 99.3° |
| CAM | NAH | V | NBH | 85.5° | 91.7° |
| CAM | NAH | V | OBA | 176.4° | 177.1° |
| CAM | NAH | CAE | H3 | 179.1° | 180.0° |
| CAJ | CAM | NAH | V | 0.2° | 0.5° |
| CAM | CAJ | OAA | V | 1.6° | 0.8° |
| CAM | CAJ | CAK | H7 | 179.4° | 180.0° |
| CAL | CAM | NAH | V | 179.4° | 179.5° |
| CAM | CAL | CAF | H4 | 178.6° | 180.0° |
| CAM | CAL | CAI | H6 | 178.2° | 180.0° |
| NAH | V | OAA | O1 | 90.4° | 89.2° |
| NAH | V | OAA | O2 | 178.6° | 168.3° |
| NAH | V | OAA | NBH | 90.6° | 76.7° |
| NAH | V | OAA | OBA | 31.0° | 57.4° |
| NAH | V | O1 | O2 | 176.9° | 177.7° |
| NAH | V | O1 | NBH | 124.1° | 12.7° |
| NAH | V | O1 | OBA | 83.1° | 87.8° |
| NAH | V | O2 | NBH | 69.6° | 7.4° |
| NAH | V | O2 | OBA | 21.2° | 83.2° |
| NAH | V | OBA | CBJ | 88.5° | 81.6° |
| NAH | V | NBH | CBE | 97.9° | 92.5° |
| NAH | V | NBH | CBM | 81.6° | 91.9° |
| NAH | V | NBH | OBA | 83.2° | 87.6° |
| V | NAH | CAE | H3 | 0.2° | 0.7° |
| NAH | V | O2 | H1 | 112.0° | 41.4° |
| NAH | V | O2 | H14 | 128.0° | 161.9° |
| OAA | V | O1 | O2 | 90.7° | 92.4° |
| OAA | V | O1 | NBH | 31.7° | 102.6° |
| OAA | V | O1 | OBA | 175.6° | 177.7° |
| OAA | V | O2 | NBH | 86.4° | 92.4° |
| OAA | V | O2 | OBA | 177.2° | 176.9° |
| OAA | V | OBA | CBJ | 57.3° | 139.0° |
| OAA | V | NBH | CBE | 5.5° | 3.1° |
| OAA | V | NBH | CBM | 173.9° | 178.7° |
| OAA | V | NBH | OBA | 175.5° | 176.9° |
| OAA | V | O2 | H1 | 92.0° | 58.4° |
| OAA | V | O2 | H14 | 28.0° | 62.0° |
| O1 | V | O2 | NBH | 178.4° | 176.3° |
| O1 | V | O2 | OBA | 90.8° | 85.6° |
| O1 | V | OBA | CBJ | 178.7° | 170.9° |
| O1 | V | NBH | CBE | 26.2° | 105.5° |
| O1 | V | NBH | CBM | 154.4° | 78.8° |
| O1 | V | NBH | OBA | 152.8° | 74.5° |
| O1 | V | O2 | H1 | 0.0° | 149.8° |
| O1 | V | O2 | H14 | 120.0° | 29.3° |
| O2 | V | OBA | CBJ | 90.3° | 86.7° |
| O2 | V | NBH | CBE | 85.2° | 89.1° |
| O2 | V | NBH | CBM | 95.3° | 86.5° |
| O2 | V | NBH | OBA | 93.7° | 90.9° |
| V | O2 | H1 | H14 | 120.0° | 122.5° |
| OBA | CBJ | CBK | CBM | 179.6° | 179.8° |
| OBA | CBJ | CBK | CBG | 179.3° | 179.9° |
| OBA | CBJ | CBM | NBH | 0.9° | 0.2° |
| OBA | CBJ | CBM | CBL | 178.7° | 179.9° |
| CBJ | OBA | V | NBH | 2.1° | 4.9° |
| OBA | CBJ | CBK | H13 | 0.7° | 0.2° |
| CBJ | CBK | CBG | H13 | 180.0° | 179.9° |
| CBJ | CBK | CBG | CBI | 0.6° | 0.1° |
| CBK | CBJ | CBM | NBH | 179.5° | 180.0° |
| CBK | CBJ | CBM | CBL | 1.0° | 0.1° |
| CBK | CBJ | OBA | V | 178.1° | 175.8° |
| CBJ | CBK | CBG | H11 | 179.4° | 179.9° |
| CBK | CBG | CBI | H11 | 180.0° | 180.0° |
| CBK | CBG | CBI | CBL | 0.8° | 0.1° |
| CBG | CBK | CBJ | CBM | 0.3° | 0.1° |
| CBK | CBG | CBI | H12 | 179.2° | 180.0° |
| CBG | CBI | CBL | H12 | 180.0° | 180.0° |
| CBG | CBI | CBL | CBF | 179.2° | 180.0° |
| CBG | CBI | CBL | CBM | 0.1° | 0.0° |
| CBI | CBG | CBK | H13 | 179.4° | 180.0° |
| CBI | CBL | CBF | CBM | 179.3° | 180.0° |
| CBI | CBL | CBF | CBD | 179.7° | 180.0° |
| CBI | CBL | CBM | NBH | 179.7° | 180.0° |
| CBI | CBL | CBM | CBJ | 0.8° | 0.1° |
| CBI | CBL | CBF | H10 | 0.4° | 0.1° |
| CBL | CBI | CBG | H11 | 179.2° | 180.0° |
| CBL | CBF | CBD | H10 | 180.0° | 179.9° |
| CBL | CBF | CBD | CBE | 1.5° | 0.0° |
| CBF | CBL | CBM | NBH | 0.3° | 0.0° |
| CBF | CBL | CBM | CBJ | 179.8° | 179.9° |
| CBL | CBF | CBD | H8 | 178.5° | 180.0° |
| CBF | CBL | CBI | H12 | 0.8° | 0.0° |
| CBF | CBD | CBE | H8 | 180.0° | 180.0° |
| CBF | CBD | CBE | NBH | 1.2° | 0.1° |
| CBD | CBF | CBL | CBM | 1.0° | 0.0° |
| CBF | CBD | CBE | H9 | 178.8° | 180.0° |
| CBD | CBE | NBH | H9 | 180.0° | 179.9° |
| CBD | CBE | NBH | CBM | 0.6° | 0.0° |
| CBD | CBE | NBH | V | 180.0° | 175.1° |
| CBE | CBD | CBF | H10 | 178.5° | 180.0° |
| CBE | NBH | CBM | V | 179.6° | 177.1° |
| CBE | NBH | CBM | CBJ | 179.7° | 179.9° |
| CBE | NBH | CBM | CBL | 0.2° | 0.0° |
| CBE | NBH | V | OBA | 178.9° | 180.0° |
| NBH | CBE | CBD | H8 | 178.8° | 180.0° |
| NBH | CBM | CBJ | CBL | 179.5° | 179.9° |
| CBM | NBH | V | OBA | 1.6° | 4.4° |
| CBM | NBH | CBE | H9 | 179.4° | 179.9° |
| CBJ | CBM | NBH | V | 0.8° | 2.9° |
| CBM | CBJ | OBA | V | 2.2° | 4.5° |
| CBM | CBJ | CBK | H13 | 179.6° | 180.0° |
| CBL | CBM | NBH | V | 179.7° | 177.0° |
| CBM | CBL | CBF | H10 | 179.0° | 179.9° |
| CBM | CBL | CBI | H12 | 179.9° | 180.0° |
| V | NBH | CBE | H9 | 0.0° | 4.9° |
| NBH | V | O2 | H1 | 178.4° | 34.0° |
| NBH | V | O2 | H14 | 58.4° | 154.4° |
| OBA | V | O2 | H1 | 90.8° | 124.6° |
| OBA | V | O2 | H14 | 149.2° | 114.9° |
| H2 | CAD | CAE | H3 | 0.4° | 0.1° |
| H2 | CAD | CAF | H4 | 0.8° | 0.1° |
| H5 | CAG | CAI | H6 | 1.6° | 0.0° |
| H5 | CAG | CAK | H7 | 1.0° | 0.0° |
| H8 | CBD | CBE | H9 | 1.3° | 0.1° |
| H8 | CBD | CBF | H10 | 1.5° | 0.1° |
| H11 | CBG | CBI | H12 | 0.8° | 0.0° |
| H11 | CBG | CBK | H13 | 0.6° | 0.0° |
