3ZU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C7 | sing | 1.39Å | 1.39Å | |
| C7 | C11 | doub | 1.39Å | 1.43Å | Aromatic |
| C7 | C15 | sing | 1.39Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| O2 | N1 | sing | 1.42Å | 1.23Å | |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.43Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C5 | sing | 1.48Å | 1.47Å | |
| N1 | C5 | doub | 1.31Å | 1.37Å | |
| N1 | C4 | sing | 1.37Å | 1.46Å | |
| C5 | C6 | sing | 1.49Å | 1.51Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C8 | sing | 1.41Å | 1.41Å | Aromatic |
| C6 | O3 | doub | 1.21Å | 1.22Å | |
| C6 | C8 | sing | 1.49Å | 1.48Å | |
| C3 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C10 | doub | 1.38Å | 1.43Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | O1 | sing | 1.36Å | 1.37Å | |
| O1 | C1 | sing | 1.43Å | 1.38Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C7 | C11 | 120.9° | 119.9° |
| N2 | C7 | C15 | 119.5° | 119.9° |
| C7 | N2 | H9 | 109.5° | 119.9° |
| C7 | N2 | H10 | 109.5° | 120.0° |
| C11 | C7 | C15 | 119.5° | 120.2° |
| C7 | C11 | C12 | 118.8° | 120.0° |
| C7 | C11 | H11 | 120.6° | 119.9° |
| C7 | C15 | C14 | 121.2° | 120.1° |
| C7 | C15 | H14 | 119.4° | 120.0° |
| C11 | C12 | C13 | 121.6° | 120.0° |
| C12 | C11 | H11 | 120.6° | 120.0° |
| C11 | C12 | H12 | 119.2° | 120.0° |
| O2 | N1 | C5 | 130.4° | 123.5° |
| O2 | N1 | C4 | 120.1° | 123.6° |
| C15 | C14 | C13 | 120.5° | 119.9° |
| C15 | C14 | H13 | 119.8° | 120.1° |
| C14 | C15 | H14 | 119.4° | 120.0° |
| C12 | C13 | C14 | 118.4° | 119.8° |
| C12 | C13 | C5 | 121.5° | 120.1° |
| C13 | C12 | H12 | 119.2° | 120.0° |
| C14 | C13 | C5 | 120.0° | 120.1° |
| C13 | C14 | H13 | 119.7° | 120.0° |
| C13 | C5 | N1 | 124.2° | 125.9° |
| C13 | C5 | C6 | 126.5° | 126.0° |
| C5 | N1 | C4 | 109.3° | 112.9° |
| N1 | C5 | C6 | 108.8° | 108.1° |
| N1 | C4 | C3 | 128.0° | 131.7° |
| N1 | C4 | C8 | 108.8° | 109.4° |
| C5 | C6 | O3 | 131.3° | 128.0° |
| C5 | C6 | C8 | 104.9° | 104.0° |
| C3 | C4 | C8 | 122.8° | 118.9° |
| C4 | C3 | C2 | 116.0° | 120.2° |
| C4 | C3 | H5 | 122.0° | 119.9° |
| C4 | C8 | C6 | 108.1° | 105.5° |
| C4 | C8 | C9 | 121.9° | 120.7° |
| O3 | C6 | C8 | 123.8° | 127.9° |
| C6 | C8 | C9 | 129.7° | 133.8° |
| C3 | C2 | C10 | 120.5° | 120.6° |
| C3 | C2 | H4 | 119.8° | 119.7° |
| C2 | C3 | H5 | 122.0° | 119.9° |
| C8 | C9 | C10 | 116.2° | 119.7° |
| C8 | C9 | H7 | 121.9° | 120.2° |
| C2 | C10 | C9 | 122.5° | 119.9° |
| C2 | C10 | O1 | 116.3° | 120.0° |
| C10 | C2 | H4 | 119.8° | 119.7° |
| C9 | C10 | O1 | 121.2° | 120.1° |
| C10 | C9 | H7 | 121.9° | 120.1° |
| C10 | O1 | C1 | 120.0° | 117.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H3 | 109.4° | 109.4° |
| H9 | N2 | H10 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C7 | C11 | C15 | 179.3° | 179.8° |
| N2 | C7 | C11 | C12 | 179.5° | 179.8° |
| N2 | C7 | C15 | C14 | 179.5° | 179.7° |
| C7 | N2 | H9 | H10 | 120.0° | 179.9° |
| N2 | C7 | C11 | H11 | 0.4° | 0.3° |
| N2 | C7 | C15 | H14 | 0.5° | 0.2° |
| C7 | C11 | C12 | H11 | 180.0° | 179.9° |
| C11 | C7 | C15 | C14 | 0.3° | 0.0° |
| C7 | C11 | C12 | C13 | 0.3° | 0.0° |
| C11 | C7 | N2 | H9 | 180.0° | 0.0° |
| C11 | C7 | N2 | H10 | 60.0° | 180.0° |
| C7 | C11 | C12 | H12 | 179.7° | 180.0° |
| C11 | C7 | C15 | H14 | 179.8° | 180.0° |
| C15 | C7 | C11 | C12 | 0.3° | 0.0° |
| C7 | C15 | C14 | H14 | 180.0° | 179.9° |
| C7 | C15 | C14 | C13 | 0.3° | 0.0° |
| C15 | C7 | N2 | H9 | 0.7° | 179.8° |
| C15 | C7 | N2 | H10 | 119.3° | 0.3° |
| C15 | C7 | C11 | H11 | 179.7° | 179.9° |
| C7 | C15 | C14 | H13 | 179.7° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.9° | 0.0° |
| C11 | C12 | C13 | C5 | 175.5° | 180.0° |
| O2 | N1 | C5 | C13 | 14.8° | 0.0° |
| O2 | N1 | C5 | C4 | 176.8° | 180.0° |
| O2 | N1 | C5 | C6 | 173.2° | 180.0° |
| O2 | N1 | C4 | C3 | 13.2° | 0.0° |
| O2 | N1 | C4 | C8 | 173.7° | 180.0° |
| C15 | C14 | C13 | C12 | 0.9° | 0.0° |
| C15 | C14 | C13 | H13 | 180.0° | 180.0° |
| C15 | C14 | C13 | C5 | 175.5° | 179.9° |
| C12 | C13 | C14 | C5 | 176.4° | 180.0° |
| C12 | C13 | C5 | N1 | 12.4° | 0.0° |
| C12 | C13 | C5 | C6 | 158.1° | 180.0° |
| C13 | C12 | C11 | H11 | 179.7° | 180.0° |
| C12 | C13 | C14 | H13 | 179.1° | 180.0° |
| C14 | C13 | C5 | N1 | 171.3° | 179.9° |
| C14 | C13 | C5 | C6 | 18.2° | 0.0° |
| C14 | C13 | C12 | H12 | 179.1° | 180.0° |
| C13 | C14 | C15 | H14 | 179.7° | 180.0° |
| C13 | C5 | N1 | C6 | 172.0° | 180.0° |
| C13 | C5 | N1 | C4 | 168.4° | 180.0° |
| C13 | C5 | C6 | O3 | 9.3° | 0.0° |
| C13 | C5 | C6 | C8 | 169.4° | 180.0° |
| C5 | C13 | C12 | H12 | 4.5° | 0.1° |
| C5 | C13 | C14 | H13 | 4.5° | 0.0° |
| C5 | N1 | C4 | C3 | 169.7° | 180.0° |
| C5 | N1 | C4 | C8 | 3.4° | 0.0° |
| N1 | C5 | C6 | O3 | 178.9° | 180.0° |
| N1 | C5 | C6 | C8 | 2.4° | 0.0° |
| C4 | N1 | C5 | C6 | 3.6° | 0.0° |
| N1 | C4 | C3 | C8 | 172.2° | 179.9° |
| N1 | C4 | C8 | C6 | 1.8° | 0.0° |
| N1 | C4 | C3 | C2 | 171.4° | 179.9° |
| N1 | C4 | C8 | C9 | 175.6° | 180.0° |
| N1 | C4 | C3 | H5 | 8.6° | 0.1° |
| C5 | C6 | C8 | C4 | 0.3° | 0.0° |
| C5 | C6 | O3 | C8 | 178.4° | 180.0° |
| C5 | C6 | C8 | C9 | 172.8° | 180.0° |
| C3 | C4 | C8 | C6 | 171.7° | 180.0° |
| C4 | C3 | C2 | H5 | 180.0° | 180.0° |
| C3 | C4 | C8 | C9 | 2.0° | 0.0° |
| C4 | C3 | C2 | C10 | 1.7° | 0.0° |
| C4 | C3 | C2 | H4 | 178.3° | 179.8° |
| C4 | C8 | C6 | O3 | 179.1° | 180.0° |
| C4 | C8 | C6 | C9 | 173.1° | 179.9° |
| C8 | C4 | C3 | C2 | 0.8° | 0.0° |
| C4 | C8 | C9 | C10 | 3.9° | 0.0° |
| C8 | C4 | C3 | H5 | 179.2° | 180.0° |
| C4 | C8 | C9 | H7 | 176.1° | 179.9° |
| O3 | C6 | C8 | C9 | 5.9° | 0.1° |
| C6 | C8 | C9 | C10 | 168.4° | 180.0° |
| C6 | C8 | C9 | H7 | 11.6° | 0.0° |
| C3 | C2 | C10 | H4 | 180.0° | 179.8° |
| C3 | C2 | C10 | C9 | 0.3° | 0.0° |
| C3 | C2 | C10 | O1 | 176.7° | 179.8° |
| C8 | C9 | C10 | C2 | 3.0° | 0.0° |
| C8 | C9 | C10 | H7 | 180.0° | 180.0° |
| C8 | C9 | C10 | O1 | 173.8° | 179.7° |
| C2 | C10 | C9 | O1 | 176.8° | 179.7° |
| C2 | C10 | O1 | C1 | 2.2° | 0.0° |
| C10 | C2 | C3 | H5 | 178.3° | 180.0° |
| C2 | C10 | C9 | H7 | 177.0° | 180.0° |
| C9 | C10 | O1 | C1 | 179.2° | 179.7° |
| C9 | C10 | C2 | H4 | 179.8° | 179.8° |
| C10 | O1 | C1 | H1 | 180.0° | 60.0° |
| C10 | O1 | C1 | H2 | 60.0° | 60.0° |
| C10 | O1 | C1 | H3 | 60.0° | 180.0° |
| O1 | C10 | C2 | H4 | 3.3° | 0.0° |
| O1 | C10 | C9 | H7 | 6.2° | 0.3° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.1° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 119.9° | 119.9° |
| H4 | C2 | C3 | H5 | 1.7° | 0.2° |
| H11 | C11 | C12 | H12 | 0.3° | 0.1° |
| H13 | C14 | C15 | H14 | 0.4° | 0.1° |
