WZ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.40Å | 1.49Å | |
| C03 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.44Å | Aromatic |
| C02 | C07 | sing | 1.39Å | 1.42Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.42Å | Aromatic |
| C07 | N08 | sing | 1.40Å | 1.45Å | |
| C07 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| N08 | C09 | sing | 1.35Å | 1.41Å | |
| C05 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C06 | N11 | sing | 1.39Å | 1.47Å | |
| C17 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C09 | N11 | sing | 1.35Å | 1.40Å | |
| C09 | O10 | doub | 1.22Å | 1.21Å | |
| C16 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| N11 | C12 | sing | 1.46Å | 1.45Å | |
| C18 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.56Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| N01 | H3 | sing | 0.97Å | 1.00Å | |
| N01 | H4 | sing | 0.97Å | 1.00Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| N08 | H8 | sing | 0.97Å | 1.00Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | C03 | 122.4° | 120.1° |
| N01 | C02 | C07 | 119.8° | 120.1° |
| C02 | N01 | H3 | 109.5° | 120.0° |
| C02 | N01 | H4 | 109.5° | 120.0° |
| C02 | C03 | C04 | 118.1° | 120.2° |
| C03 | C02 | C07 | 117.8° | 119.7° |
| C02 | C03 | H5 | 120.9° | 119.9° |
| C03 | C04 | C05 | 122.9° | 120.3° |
| C04 | C03 | H5 | 121.0° | 119.9° |
| C03 | C04 | H6 | 118.5° | 119.9° |
| C02 | C07 | N08 | 131.1° | 133.3° |
| C02 | C07 | C06 | 123.4° | 119.9° |
| C04 | C05 | C06 | 117.5° | 120.0° |
| C05 | C04 | H6 | 118.5° | 119.8° |
| C04 | C05 | H7 | 121.2° | 120.0° |
| N08 | C07 | C06 | 105.4° | 106.8° |
| C07 | N08 | C09 | 112.2° | 108.3° |
| C07 | N08 | H8 | 123.9° | 125.9° |
| C07 | C06 | C05 | 120.1° | 119.9° |
| C07 | C06 | N11 | 107.8° | 106.9° |
| N08 | C09 | N11 | 104.3° | 109.6° |
| N08 | C09 | O10 | 127.9° | 125.2° |
| C09 | N08 | H8 | 123.9° | 125.8° |
| C05 | C06 | N11 | 132.0° | 133.3° |
| C06 | C05 | H7 | 121.2° | 120.0° |
| C06 | N11 | C09 | 110.2° | 108.4° |
| C06 | N11 | C12 | 123.3° | 125.8° |
| C16 | C17 | C18 | 119.0° | 120.0° |
| C17 | C16 | C15 | 119.8° | 120.0° |
| C16 | C17 | H2 | 120.5° | 120.0° |
| C17 | C16 | H12 | 120.1° | 120.1° |
| C17 | C18 | C13 | 120.7° | 120.0° |
| C18 | C17 | H2 | 120.5° | 120.0° |
| C17 | C18 | H13 | 119.6° | 120.0° |
| N11 | C09 | O10 | 127.7° | 125.1° |
| C09 | N11 | C12 | 126.4° | 125.8° |
| C16 | C15 | C14 | 120.4° | 120.0° |
| C16 | C15 | H1 | 119.8° | 120.0° |
| C15 | C16 | H12 | 120.1° | 120.0° |
| N11 | C12 | C13 | 107.3° | 109.5° |
| N11 | C12 | H9 | 110.0° | 109.5° |
| N11 | C12 | H10 | 110.0° | 109.5° |
| C18 | C13 | C14 | 118.4° | 120.0° |
| C18 | C13 | C12 | 124.1° | 120.0° |
| C13 | C18 | H13 | 119.6° | 120.0° |
| C15 | C14 | C13 | 121.6° | 120.0° |
| C14 | C15 | H1 | 119.8° | 120.1° |
| C15 | C14 | H11 | 119.2° | 119.9° |
| C14 | C13 | C12 | 117.4° | 120.0° |
| C13 | C14 | H11 | 119.2° | 120.0° |
| C13 | C12 | H9 | 110.0° | 109.5° |
| C13 | C12 | H10 | 110.0° | 109.5° |
| H3 | N01 | H4 | 109.4° | 120.0° |
| H9 | C12 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | C07 | 179.6° | 179.7° |
| N01 | C02 | C03 | C04 | 177.1° | 180.0° |
| N01 | C02 | C07 | N08 | 3.1° | 0.0° |
| N01 | C02 | C07 | C06 | 179.0° | 179.8° |
| C02 | N01 | H3 | H4 | 120.0° | 180.0° |
| N01 | C02 | C03 | H5 | 2.8° | 0.0° |
| C02 | C03 | C04 | H5 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 3.1° | 0.1° |
| C03 | C02 | C07 | N08 | 177.3° | 179.7° |
| C03 | C02 | C07 | C06 | 0.6° | 0.5° |
| C03 | C02 | N01 | H3 | 180.0° | 179.7° |
| C03 | C02 | N01 | H4 | 60.0° | 0.3° |
| C02 | C03 | C04 | H6 | 176.8° | 180.0° |
| C04 | C03 | C02 | C07 | 2.4° | 0.3° |
| C03 | C04 | C05 | H6 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 1.8° | 0.1° |
| C03 | C04 | C05 | H7 | 178.2° | 180.0° |
| C02 | C07 | N08 | C06 | 178.2° | 179.8° |
| C02 | C07 | N08 | C09 | 179.1° | 180.0° |
| C02 | C07 | C06 | C05 | 0.8° | 0.6° |
| C02 | C07 | C06 | N11 | 178.4° | 179.6° |
| C07 | C02 | N01 | H3 | 0.4° | 0.0° |
| C07 | C02 | N01 | H4 | 119.6° | 180.0° |
| C07 | C02 | C03 | H5 | 177.6° | 179.7° |
| C02 | C07 | N08 | H8 | 0.9° | 0.1° |
| C04 | C05 | C06 | C07 | 0.2° | 0.4° |
| C04 | C05 | C06 | H7 | 180.0° | 179.9° |
| C04 | C05 | C06 | N11 | 178.7° | 179.9° |
| C05 | C04 | C03 | H5 | 176.9° | 179.9° |
| C07 | N08 | C09 | H8 | 180.0° | 179.9° |
| N08 | C07 | C06 | C05 | 179.1° | 179.6° |
| N08 | C07 | C06 | N11 | 0.0° | 0.2° |
| C07 | N08 | C09 | N11 | 1.5° | 0.6° |
| C07 | N08 | C09 | O10 | 179.5° | 180.0° |
| C06 | C07 | N08 | C09 | 0.9° | 0.2° |
| C07 | C06 | C05 | N11 | 178.9° | 179.8° |
| C07 | C06 | N11 | C09 | 0.9° | 0.6° |
| C07 | C06 | N11 | C12 | 176.6° | 179.8° |
| C07 | C06 | C05 | H7 | 179.8° | 179.8° |
| C06 | C07 | N08 | H8 | 179.1° | 179.7° |
| N08 | C09 | N11 | C06 | 1.4° | 0.7° |
| N08 | C09 | N11 | O10 | 179.1° | 179.4° |
| N08 | C09 | N11 | C12 | 176.0° | 179.9° |
| C05 | C06 | N11 | C09 | 179.9° | 179.2° |
| C05 | C06 | N11 | C12 | 2.4° | 0.0° |
| C06 | C05 | C04 | H6 | 178.2° | 180.0° |
| C06 | N11 | C09 | C12 | 177.4° | 179.2° |
| C06 | N11 | C09 | O10 | 179.5° | 179.9° |
| C06 | N11 | C12 | C13 | 67.3° | 90.0° |
| N11 | C06 | C05 | H7 | 1.3° | 0.0° |
| C06 | N11 | C12 | H9 | 52.4° | 30.0° |
| C06 | N11 | C12 | H10 | 173.1° | 150.0° |
| C16 | C17 | C18 | H2 | 180.0° | 179.0° |
| C17 | C16 | C15 | H12 | 180.0° | 179.1° |
| C16 | C17 | C18 | C13 | 0.7° | 0.6° |
| C17 | C16 | C15 | C14 | 0.5° | 0.6° |
| C17 | C16 | C15 | H1 | 179.6° | 179.4° |
| C16 | C17 | C18 | H13 | 179.3° | 179.4° |
| C18 | C17 | C16 | C15 | 0.5° | 0.9° |
| C17 | C18 | C13 | H13 | 180.0° | 179.9° |
| C17 | C18 | C13 | C14 | 0.7° | 0.0° |
| C17 | C18 | C13 | C12 | 179.2° | 179.7° |
| C18 | C17 | C16 | H12 | 179.5° | 180.0° |
| C09 | N11 | C12 | C13 | 109.9° | 89.1° |
| N11 | C09 | N08 | H8 | 178.5° | 179.4° |
| C09 | N11 | C12 | H9 | 130.5° | 150.9° |
| C09 | N11 | C12 | H10 | 9.8° | 30.9° |
| O10 | C09 | N11 | C12 | 3.1° | 0.7° |
| O10 | C09 | N08 | H8 | 0.6° | 0.0° |
| C16 | C15 | C14 | H1 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.5° | 0.0° |
| C15 | C16 | C17 | H2 | 179.5° | 180.0° |
| C16 | C15 | C14 | H11 | 179.5° | 180.0° |
| N11 | C12 | C13 | C18 | 59.3° | 90.3° |
| N11 | C12 | C13 | C14 | 120.8° | 90.0° |
| N11 | C12 | C13 | H9 | 119.7° | 120.0° |
| N11 | C12 | C13 | H10 | 119.7° | 120.0° |
| N11 | C12 | H9 | H10 | 121.0° | 120.0° |
| C18 | C13 | C14 | C15 | 0.6° | 0.3° |
| C18 | C13 | C14 | C12 | 179.9° | 179.7° |
| C13 | C18 | C17 | H2 | 179.3° | 179.7° |
| C18 | C13 | C12 | H9 | 179.0° | 29.7° |
| C18 | C13 | C12 | H10 | 60.3° | 149.7° |
| C18 | C13 | C14 | H11 | 179.4° | 179.8° |
| C15 | C14 | C13 | H11 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 179.3° | 180.0° |
| C14 | C15 | C16 | H12 | 179.5° | 179.7° |
| C13 | C14 | C15 | H1 | 179.5° | 180.0° |
| C14 | C13 | C12 | H9 | 1.1° | 150.0° |
| C14 | C13 | C12 | H10 | 119.5° | 30.0° |
| C14 | C13 | C18 | H13 | 179.3° | 180.0° |
| C13 | C12 | H9 | H10 | 121.0° | 120.0° |
| C12 | C13 | C14 | H11 | 0.7° | 0.0° |
| C12 | C13 | C18 | H13 | 0.9° | 0.2° |
| H1 | C15 | C14 | H11 | 0.5° | 0.1° |
| H1 | C15 | C16 | H12 | 0.4° | 0.3° |
| H2 | C17 | C16 | H12 | 0.5° | 0.9° |
| H2 | C17 | C18 | H13 | 0.7° | 0.4° |
| H5 | C03 | C04 | H6 | 3.2° | 0.0° |
| H6 | C04 | C05 | H7 | 1.8° | 0.1° |
