RZK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | O14 | sing | 1.43Å | 1.40Å | |
| N13 | C15 | sing | 1.47Å | 1.45Å | |
| C12 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C10 | sing | 1.39Å | 1.36Å | Aromatic |
| C15 | C7 | sing | 1.53Å | 1.54Å | |
| C8 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| O14 | C10 | sing | 1.36Å | 1.37Å | |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | N5 | sing | 1.46Å | 1.45Å | |
| N1 | N5 | sing | 1.29Å | 1.30Å | Aromatic |
| N1 | C3 | doub | 1.32Å | 1.25Å | Aromatic |
| N5 | N4 | sing | 1.29Å | 1.31Å | Aromatic |
| C6 | C3 | sing | 1.48Å | 1.51Å | |
| C6 | C9 | doub | 1.39Å | 1.37Å | Aromatic |
| C3 | N2 | sing | 1.34Å | 1.41Å | Aromatic |
| C11 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| N4 | N2 | doub | 1.29Å | 1.33Å | Aromatic |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| N13 | H12 | sing | 1.01Å | 1.00Å | |
| N13 | H13 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | O14 | C10 | 120.6° | 117.0° |
| O14 | C16 | H5 | 109.5° | 109.4° |
| O14 | C16 | H6 | 109.5° | 109.4° |
| O14 | C16 | H7 | 109.5° | 109.5° |
| N13 | C15 | C7 | 115.4° | 109.5° |
| N13 | C15 | H3 | 108.0° | 109.5° |
| N13 | C15 | H4 | 108.0° | 109.5° |
| C15 | N13 | H12 | 109.5° | 111.0° |
| C15 | N13 | H13 | 109.5° | 111.0° |
| C8 | C12 | C10 | 118.7° | 120.1° |
| C12 | C8 | C6 | 122.9° | 119.9° |
| C8 | C12 | H2 | 120.6° | 119.9° |
| C12 | C8 | H10 | 118.6° | 120.0° |
| C12 | C10 | O14 | 119.6° | 119.9° |
| C12 | C10 | C11 | 119.6° | 120.1° |
| C10 | C12 | H2 | 120.6° | 120.0° |
| C15 | C7 | N5 | 111.0° | 109.5° |
| C7 | C15 | H3 | 108.0° | 109.5° |
| C7 | C15 | H4 | 108.0° | 109.5° |
| C15 | C7 | H8 | 109.1° | 109.5° |
| C15 | C7 | H9 | 109.1° | 109.5° |
| C8 | C6 | C3 | 116.4° | 120.1° |
| C8 | C6 | C9 | 117.7° | 119.8° |
| C6 | C8 | H10 | 118.5° | 120.1° |
| O14 | C10 | C11 | 120.8° | 119.9° |
| C10 | C11 | C9 | 121.5° | 120.1° |
| C10 | C11 | H1 | 119.2° | 119.9° |
| C7 | N5 | N1 | 127.1° | 125.4° |
| C7 | N5 | N4 | 125.5° | 125.3° |
| N5 | C7 | H8 | 109.1° | 109.5° |
| N5 | C7 | H9 | 109.1° | 109.5° |
| N5 | N1 | C3 | 110.9° | 107.8° |
| N1 | N5 | N4 | 107.4° | 109.3° |
| N1 | C3 | C6 | 122.1° | 126.7° |
| N1 | C3 | N2 | 108.6° | 106.6° |
| N5 | N4 | N2 | 110.5° | 108.9° |
| C3 | C6 | C9 | 125.9° | 120.1° |
| C6 | C3 | N2 | 129.3° | 126.7° |
| C6 | C9 | C11 | 119.5° | 120.0° |
| C6 | C9 | H11 | 120.2° | 120.0° |
| C3 | N2 | N4 | 102.5° | 107.3° |
| C9 | C11 | H1 | 119.2° | 120.0° |
| C11 | C9 | H11 | 120.2° | 120.1° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H5 | C16 | H7 | 109.4° | 109.5° |
| H6 | C16 | H7 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.4° |
| H12 | N13 | H13 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | O14 | C10 | C12 | 6.5° | 180.0° |
| C16 | O14 | C10 | C11 | 174.7° | 0.0° |
| O14 | C16 | H5 | H6 | 120.0° | 119.9° |
| O14 | C16 | H5 | H7 | 120.0° | 120.0° |
| O14 | C16 | H6 | H7 | 120.0° | 120.0° |
| N13 | C15 | C7 | H3 | 120.9° | 120.0° |
| N13 | C15 | C7 | H4 | 120.9° | 120.0° |
| N13 | C15 | C7 | N5 | 66.1° | 180.0° |
| N13 | C15 | H3 | H4 | 117.3° | 120.0° |
| N13 | C15 | C7 | H8 | 54.1° | 60.0° |
| N13 | C15 | C7 | H9 | 173.6° | 59.9° |
| C15 | N13 | H12 | H13 | 120.0° | 123.9° |
| C8 | C12 | C10 | H2 | 180.0° | 179.7° |
| C12 | C8 | C6 | H10 | 180.0° | 179.7° |
| C8 | C12 | C10 | O14 | 179.6° | 180.0° |
| C8 | C12 | C10 | C11 | 1.6° | 0.0° |
| C12 | C8 | C6 | C3 | 178.3° | 180.0° |
| C12 | C8 | C6 | C9 | 0.4° | 0.6° |
| C10 | C12 | C8 | C6 | 0.6° | 0.3° |
| C12 | C10 | O14 | C11 | 178.7° | 180.0° |
| C12 | C10 | C11 | C9 | 1.7° | 0.0° |
| C12 | C10 | C11 | H1 | 178.3° | 179.7° |
| C10 | C12 | C8 | H10 | 179.4° | 180.0° |
| C15 | C7 | N5 | H8 | 120.2° | 120.0° |
| C15 | C7 | N5 | H9 | 120.2° | 120.1° |
| C15 | C7 | N5 | N1 | 97.7° | 90.0° |
| C15 | C7 | N5 | N4 | 81.1° | 90.0° |
| C7 | C15 | H3 | H4 | 117.3° | 120.0° |
| C15 | C7 | H8 | H9 | 119.3° | 120.0° |
| C7 | C15 | N13 | H12 | 180.0° | 179.9° |
| C7 | C15 | N13 | H13 | 60.0° | 56.1° |
| C8 | C6 | C3 | N1 | 40.9° | 0.9° |
| C8 | C6 | C3 | C9 | 178.5° | 179.4° |
| C8 | C6 | C3 | N2 | 137.6° | 179.5° |
| C8 | C6 | C9 | C11 | 0.3° | 0.6° |
| C6 | C8 | C12 | H2 | 179.4° | 180.0° |
| C8 | C6 | C9 | H11 | 179.7° | 179.5° |
| O14 | C10 | C11 | C9 | 179.5° | 180.0° |
| O14 | C10 | C11 | H1 | 0.5° | 0.3° |
| O14 | C10 | C12 | H2 | 0.4° | 0.2° |
| C10 | O14 | C16 | H5 | 180.0° | 60.0° |
| C10 | O14 | C16 | H6 | 60.0° | 60.0° |
| C10 | O14 | C16 | H7 | 60.0° | 180.0° |
| C10 | C11 | C9 | C6 | 0.7° | 0.3° |
| C10 | C11 | C9 | H1 | 180.0° | 179.7° |
| C11 | C10 | C12 | H2 | 178.4° | 179.8° |
| C10 | C11 | C9 | H11 | 179.2° | 179.7° |
| C7 | N5 | N1 | N4 | 179.0° | 180.0° |
| C7 | N5 | N1 | C3 | 180.0° | 180.0° |
| C7 | N5 | N4 | N2 | 179.6° | 180.0° |
| N5 | C7 | C15 | H3 | 173.0° | 60.0° |
| N5 | C7 | C15 | H4 | 54.7° | 60.0° |
| N5 | C7 | H8 | H9 | 119.3° | 120.0° |
| N5 | N1 | C3 | C6 | 179.7° | 179.7° |
| N5 | N1 | C3 | N2 | 1.0° | 0.0° |
| N1 | N5 | N4 | N2 | 0.6° | 0.0° |
| N1 | N5 | C7 | H8 | 22.5° | 30.0° |
| N1 | N5 | C7 | H9 | 142.0° | 149.9° |
| C3 | N1 | N5 | N4 | 1.0° | 0.0° |
| N1 | C3 | C6 | N2 | 178.5° | 179.7° |
| N1 | C3 | C6 | C9 | 137.7° | 179.7° |
| N1 | C3 | N2 | N4 | 0.6° | 0.0° |
| N5 | N4 | N2 | C3 | 0.0° | 0.0° |
| N4 | N5 | C7 | H8 | 158.6° | 150.0° |
| N4 | N5 | C7 | H9 | 39.1° | 30.0° |
| C3 | C6 | C9 | C11 | 178.2° | 180.0° |
| C6 | C3 | N2 | N4 | 179.2° | 179.7° |
| C3 | C6 | C8 | H10 | 1.7° | 0.3° |
| C3 | C6 | C9 | H11 | 1.8° | 0.0° |
| C9 | C6 | C3 | N2 | 43.8° | 0.1° |
| C6 | C9 | C11 | H11 | 180.0° | 179.9° |
| C6 | C9 | C11 | H1 | 179.3° | 180.0° |
| C9 | C6 | C8 | H10 | 179.6° | 179.7° |
| H1 | C11 | C9 | H11 | 0.8° | 0.0° |
| H2 | C12 | C8 | H10 | 0.6° | 0.2° |
| H3 | C15 | C7 | H8 | 66.8° | 60.0° |
| H3 | C15 | C7 | H9 | 52.8° | 179.9° |
| H3 | C15 | N13 | H12 | 59.1° | 60.0° |
| H3 | C15 | N13 | H13 | 60.9° | 176.1° |
| H4 | C15 | C7 | H8 | 175.0° | 179.9° |
| H4 | C15 | C7 | H9 | 65.5° | 60.0° |
| H4 | C15 | N13 | H12 | 59.1° | 59.9° |
| H4 | C15 | N13 | H13 | 179.1° | 63.9° |
| H5 | C16 | H6 | H7 | 119.9° | 120.1° |
