0OX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.35Å | |
| O3 | C2 | doub | 1.22Å | 1.23Å | |
| C2 | C4 | sing | 1.47Å | 1.49Å | |
| C4 | C5 | doub | 1.40Å | 1.43Å | Aromatic |
| C4 | C15 | sing | 1.41Å | 1.45Å | Aromatic |
| C5 | N6 | sing | 1.32Å | 1.34Å | Aromatic |
| N16 | C15 | sing | 1.38Å | 1.39Å | |
| C15 | N14 | doub | 1.33Å | 1.35Å | Aromatic |
| N6 | C7 | doub | 1.33Å | 1.35Å | Aromatic |
| N14 | C7 | sing | 1.32Å | 1.35Å | Aromatic |
| C10 | C11 | sing | 1.54Å | 1.55Å | |
| C10 | C9 | sing | 1.55Å | 1.56Å | |
| C7 | O8 | sing | 1.35Å | 1.37Å | |
| C11 | C12 | sing | 1.54Å | 1.55Å | |
| O8 | C9 | sing | 1.43Å | 1.45Å | |
| C9 | C13 | sing | 1.55Å | 1.54Å | |
| C12 | C13 | sing | 1.54Å | 1.53Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| N16 | H13 | sing | 0.97Å | 1.00Å | |
| N16 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | O3 | 119.1° | 120.0° |
| N1 | C2 | C4 | 120.0° | 120.0° |
| C2 | N1 | H10 | 120.0° | 120.1° |
| C2 | N1 | H11 | 120.0° | 119.9° |
| O3 | C2 | C4 | 120.9° | 120.0° |
| C2 | C4 | C5 | 120.8° | 120.9° |
| C2 | C4 | C15 | 122.6° | 121.0° |
| C5 | C4 | C15 | 116.6° | 118.1° |
| C4 | C5 | N6 | 120.0° | 119.1° |
| C4 | C5 | H1 | 120.0° | 120.4° |
| C4 | C15 | N16 | 121.4° | 120.6° |
| C4 | C15 | N14 | 119.1° | 118.8° |
| C5 | N6 | C7 | 121.6° | 121.2° |
| N6 | C5 | H1 | 120.0° | 120.5° |
| N16 | C15 | N14 | 119.5° | 120.6° |
| C15 | N16 | H13 | 109.5° | 120.0° |
| C15 | N16 | H14 | 109.4° | 120.0° |
| C15 | N14 | C7 | 121.7° | 120.8° |
| N6 | C7 | N14 | 121.0° | 122.1° |
| N6 | C7 | O8 | 120.6° | 119.0° |
| N14 | C7 | O8 | 118.4° | 118.9° |
| C11 | C10 | C9 | 103.7° | 104.2° |
| C10 | C11 | C12 | 105.7° | 106.7° |
| C11 | C10 | H2 | 110.9° | 110.5° |
| C11 | C10 | H3 | 110.9° | 110.5° |
| C10 | C11 | H4 | 110.4° | 110.0° |
| C10 | C11 | H5 | 110.4° | 110.1° |
| C10 | C9 | O8 | 110.9° | 110.8° |
| C10 | C9 | C13 | 103.7° | 102.8° |
| C9 | C10 | H2 | 110.9° | 110.4° |
| C9 | C10 | H3 | 110.9° | 110.5° |
| C10 | C9 | H12 | 110.2° | 110.7° |
| C7 | O8 | C9 | 120.0° | 117.0° |
| C11 | C12 | C13 | 107.3° | 106.5° |
| C12 | C11 | H4 | 110.4° | 110.0° |
| C12 | C11 | H5 | 110.4° | 110.0° |
| C11 | C12 | H6 | 110.0° | 110.1° |
| C11 | C12 | H7 | 110.0° | 110.0° |
| O8 | C9 | C13 | 109.7° | 110.8° |
| O8 | C9 | H12 | 111.8° | 110.7° |
| C9 | C13 | C12 | 106.1° | 104.2° |
| C9 | C13 | H8 | 110.3° | 110.5° |
| C9 | C13 | H9 | 110.3° | 110.6° |
| C13 | C9 | H12 | 110.3° | 110.9° |
| C13 | C12 | H6 | 110.0° | 110.0° |
| C13 | C12 | H7 | 110.0° | 110.0° |
| C12 | C13 | H8 | 110.3° | 110.5° |
| C12 | C13 | H9 | 110.3° | 110.5° |
| H2 | C10 | H3 | 109.5° | 110.5° |
| H4 | C11 | H5 | 109.4° | 110.0° |
| H6 | C12 | H7 | 109.5° | 110.1° |
| H8 | C13 | H9 | 109.5° | 110.4° |
| H10 | N1 | H11 | 120.0° | 120.0° |
| H13 | N16 | H14 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | O3 | C4 | 179.5° | 179.6° |
| N1 | C2 | C4 | C5 | 10.2° | 5.4° |
| N1 | C2 | C4 | C15 | 170.0° | 174.3° |
| C2 | N1 | H10 | H11 | 180.0° | 179.9° |
| O3 | C2 | C4 | C5 | 169.4° | 174.2° |
| O3 | C2 | C4 | C15 | 10.5° | 6.1° |
| O3 | C2 | N1 | H10 | 0.0° | 179.7° |
| O3 | C2 | N1 | H11 | 180.0° | 0.4° |
| C2 | C4 | C5 | C15 | 179.9° | 179.7° |
| C2 | C4 | C5 | N6 | 179.9° | 180.0° |
| C2 | C4 | C15 | N16 | 0.1° | 0.0° |
| C2 | C4 | C15 | N14 | 179.9° | 179.8° |
| C2 | C4 | C5 | H1 | 0.1° | 0.1° |
| C4 | C2 | N1 | H10 | 179.6° | 0.1° |
| C4 | C2 | N1 | H11 | 0.4° | 180.0° |
| C4 | C5 | N6 | H1 | 180.0° | 180.0° |
| C5 | C4 | C15 | N16 | 179.8° | 179.7° |
| C5 | C4 | C15 | N14 | 0.0° | 0.5° |
| C4 | C5 | N6 | C7 | 0.0° | 0.1° |
| C15 | C4 | C5 | N6 | 0.0° | 0.3° |
| C4 | C15 | N16 | N14 | 179.8° | 179.8° |
| C4 | C15 | N14 | C7 | 0.0° | 0.5° |
| C15 | C4 | C5 | H1 | 180.0° | 179.8° |
| C4 | C15 | N16 | H13 | 179.8° | 5.4° |
| C4 | C15 | N16 | H14 | 59.8° | 174.6° |
| C5 | N6 | C7 | N14 | 0.0° | 0.1° |
| C5 | N6 | C7 | O8 | 179.8° | 179.9° |
| N16 | C15 | N14 | C7 | 179.8° | 179.7° |
| C15 | N16 | H13 | H14 | 120.0° | 180.0° |
| C15 | N14 | C7 | N6 | 0.0° | 0.3° |
| C15 | N14 | C7 | O8 | 179.8° | 179.7° |
| N14 | C15 | N16 | H13 | 0.0° | 174.3° |
| N14 | C15 | N16 | H14 | 120.0° | 5.6° |
| N6 | C7 | N14 | O8 | 179.8° | 180.0° |
| N6 | C7 | O8 | C9 | 7.2° | 0.0° |
| C7 | N6 | C5 | H1 | 180.0° | 180.0° |
| N14 | C7 | O8 | C9 | 172.6° | 180.0° |
| C11 | C10 | C9 | H2 | 119.1° | 118.7° |
| C11 | C10 | C9 | H3 | 119.1° | 118.7° |
| C10 | C11 | C12 | H4 | 119.4° | 119.3° |
| C10 | C11 | C12 | H5 | 119.4° | 119.4° |
| C11 | C10 | C9 | O8 | 154.5° | 156.3° |
| C11 | C10 | C9 | C13 | 36.8° | 37.9° |
| C10 | C11 | C12 | C13 | 9.1° | 0.0° |
| C11 | C10 | H2 | H3 | 122.6° | 122.6° |
| C10 | C11 | H4 | H5 | 121.7° | 121.4° |
| C10 | C11 | C12 | H6 | 128.8° | 119.2° |
| C10 | C11 | C12 | H7 | 110.5° | 119.3° |
| C11 | C10 | C9 | H12 | 81.2° | 80.6° |
| C10 | C9 | O8 | C7 | 89.2° | 150.0° |
| C9 | C10 | C11 | C12 | 28.4° | 23.6° |
| C10 | C9 | O8 | C13 | 114.0° | 113.4° |
| C10 | C9 | O8 | H12 | 123.3° | 123.2° |
| C10 | C9 | C13 | H12 | 118.0° | 118.3° |
| C10 | C9 | C13 | C12 | 31.6° | 37.9° |
| C9 | C10 | H2 | H3 | 122.7° | 122.6° |
| C9 | C10 | C11 | H4 | 91.1° | 95.7° |
| C9 | C10 | C11 | H5 | 147.8° | 142.9° |
| C10 | C9 | C13 | H8 | 87.9° | 156.7° |
| C10 | C9 | C13 | H9 | 151.0° | 80.8° |
| C7 | O8 | C9 | C13 | 156.9° | 96.6° |
| C7 | O8 | C9 | H12 | 34.1° | 26.8° |
| C11 | C12 | C13 | C9 | 14.0° | 23.6° |
| C11 | C12 | C13 | H6 | 119.6° | 119.3° |
| C11 | C12 | C13 | H7 | 119.7° | 119.2° |
| C12 | C11 | C10 | H2 | 90.7° | 95.1° |
| C12 | C11 | C10 | H3 | 147.4° | 142.3° |
| C12 | C11 | H4 | H5 | 121.7° | 121.4° |
| C11 | C12 | H6 | H7 | 121.0° | 121.4° |
| C11 | C12 | C13 | H8 | 105.5° | 142.3° |
| C11 | C12 | C13 | H9 | 133.5° | 95.2° |
| O8 | C9 | C13 | H12 | 123.6° | 123.3° |
| O8 | C9 | C13 | C12 | 150.0° | 156.3° |
| O8 | C9 | C10 | H2 | 35.4° | 37.6° |
| O8 | C9 | C10 | H3 | 86.4° | 85.0° |
| O8 | C9 | C13 | H8 | 30.5° | 85.0° |
| O8 | C9 | C13 | H9 | 90.5° | 37.5° |
| C9 | C13 | C12 | H8 | 119.5° | 118.7° |
| C9 | C13 | C12 | H9 | 119.5° | 118.8° |
| C13 | C9 | C10 | H2 | 82.2° | 80.8° |
| C13 | C9 | C10 | H3 | 155.9° | 156.6° |
| C9 | C13 | C12 | H6 | 105.7° | 95.7° |
| C9 | C13 | C12 | H7 | 133.6° | 142.8° |
| C9 | C13 | H8 | H9 | 121.5° | 122.6° |
| C13 | C12 | C11 | H4 | 110.3° | 119.3° |
| C13 | C12 | C11 | H5 | 128.5° | 119.4° |
| C13 | C12 | H6 | H7 | 121.0° | 121.5° |
| C12 | C13 | H8 | H9 | 121.5° | 122.5° |
| C12 | C13 | C9 | H12 | 86.4° | 80.4° |
| H2 | C10 | C11 | H4 | 149.8° | 145.6° |
| H2 | C10 | C11 | H5 | 28.7° | 24.3° |
| H2 | C10 | C9 | H12 | 159.7° | 160.7° |
| H3 | C10 | C11 | H4 | 28.0° | 23.0° |
| H3 | C10 | C11 | H5 | 93.1° | 98.4° |
| H3 | C10 | C9 | H12 | 37.8° | 38.1° |
| H4 | C11 | C12 | H6 | 9.3° | 0.1° |
| H4 | C11 | C12 | H7 | 130.1° | 121.4° |
| H5 | C11 | C12 | H6 | 111.8° | 121.4° |
| H5 | C11 | C12 | H7 | 8.9° | 0.1° |
| H6 | C12 | C13 | H8 | 134.8° | 23.1° |
| H6 | C12 | C13 | H9 | 13.8° | 145.5° |
| H7 | C12 | C13 | H8 | 14.1° | 98.4° |
| H7 | C12 | C13 | H9 | 106.9° | 24.0° |
| H8 | C13 | C9 | H12 | 154.1° | 38.3° |
| H9 | C13 | C9 | H12 | 33.1° | 160.8° |
