WZL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR01 | C02 | sing | 1.89Å | 1.89Å | |
| C03 | C02 | doub | 1.38Å | 1.35Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.43Å | Aromatic |
| C02 | C07 | sing | 1.39Å | 1.41Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.43Å | Aromatic |
| C07 | N08 | sing | 1.39Å | 1.48Å | |
| C07 | C06 | doub | 1.40Å | 1.37Å | Aromatic |
| N08 | C09 | sing | 1.35Å | 1.41Å | |
| C05 | C06 | sing | 1.39Å | 1.36Å | Aromatic |
| C06 | N11 | sing | 1.39Å | 1.50Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C09 | N11 | sing | 1.35Å | 1.42Å | |
| C09 | O10 | doub | 1.22Å | 1.21Å | |
| N11 | C12 | sing | 1.46Å | 1.46Å | |
| C14 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.58Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| N08 | H6 | sing | 0.97Å | 1.00Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR01 | C02 | C03 | 120.0° | 120.1° |
| BR01 | C02 | C07 | 114.7° | 120.1° |
| C02 | C03 | C04 | 112.3° | 120.3° |
| C03 | C02 | C07 | 125.3° | 119.8° |
| C02 | C03 | H3 | 123.9° | 119.8° |
| C03 | C04 | C05 | 122.7° | 120.3° |
| C04 | C03 | H3 | 123.9° | 119.9° |
| C03 | C04 | H4 | 118.7° | 119.9° |
| C02 | C07 | N08 | 132.8° | 133.3° |
| C02 | C07 | C06 | 121.4° | 119.9° |
| C04 | C05 | C06 | 121.0° | 119.9° |
| C05 | C04 | H4 | 118.7° | 119.8° |
| C04 | C05 | H5 | 119.5° | 120.0° |
| N08 | C07 | C06 | 105.4° | 106.8° |
| C07 | N08 | C09 | 112.6° | 108.3° |
| C07 | N08 | H6 | 123.7° | 125.9° |
| C07 | C06 | C05 | 116.9° | 119.8° |
| C07 | C06 | N11 | 108.1° | 106.8° |
| N08 | C09 | N11 | 104.2° | 109.7° |
| N08 | C09 | O10 | 127.0° | 125.2° |
| C09 | N08 | H6 | 123.7° | 125.8° |
| C05 | C06 | N11 | 134.9° | 133.3° |
| C06 | C05 | H5 | 119.5° | 120.1° |
| C06 | N11 | C09 | 109.5° | 108.4° |
| C06 | N11 | C12 | 123.4° | 125.8° |
| C16 | C15 | C14 | 118.5° | 120.0° |
| C15 | C16 | C17 | 120.8° | 120.0° |
| C16 | C15 | H1 | 120.7° | 120.0° |
| C15 | C16 | H10 | 119.6° | 120.0° |
| C15 | C14 | C13 | 122.8° | 120.0° |
| C14 | C15 | H1 | 120.7° | 120.0° |
| C15 | C14 | H9 | 118.6° | 120.0° |
| C16 | C17 | C18 | 118.5° | 120.0° |
| C16 | C17 | H2 | 120.8° | 120.0° |
| C17 | C16 | H10 | 119.6° | 120.0° |
| N11 | C09 | O10 | 128.8° | 125.2° |
| C09 | N11 | C12 | 126.9° | 125.8° |
| N11 | C12 | C13 | 103.8° | 109.5° |
| N11 | C12 | H7 | 110.9° | 109.5° |
| N11 | C12 | H8 | 110.9° | 109.5° |
| C14 | C13 | C18 | 117.5° | 120.0° |
| C14 | C13 | C12 | 120.1° | 120.0° |
| C13 | C14 | H9 | 118.6° | 120.0° |
| C17 | C18 | C13 | 121.8° | 120.0° |
| C18 | C17 | H2 | 120.8° | 120.0° |
| C17 | C18 | H11 | 119.1° | 120.0° |
| C18 | C13 | C12 | 122.4° | 120.0° |
| C13 | C18 | H11 | 119.1° | 120.0° |
| C13 | C12 | H7 | 110.9° | 109.5° |
| C13 | C12 | H8 | 110.9° | 109.5° |
| H7 | C12 | H8 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR01 | C02 | C03 | C07 | 178.5° | 179.8° |
| BR01 | C02 | C03 | C04 | 177.0° | 180.0° |
| BR01 | C02 | C07 | N08 | 6.6° | 0.1° |
| BR01 | C02 | C07 | C06 | 177.7° | 179.8° |
| BR01 | C02 | C03 | H3 | 2.9° | 0.1° |
| C02 | C03 | C04 | H3 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 7.0° | 0.0° |
| C03 | C02 | C07 | N08 | 174.8° | 179.7° |
| C03 | C02 | C07 | C06 | 3.8° | 0.5° |
| C02 | C03 | C04 | H4 | 173.0° | 179.9° |
| C04 | C03 | C02 | C07 | 1.5° | 0.2° |
| C03 | C04 | C05 | H4 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 7.7° | 0.0° |
| C03 | C04 | C05 | H5 | 172.3° | 180.0° |
| C02 | C07 | N08 | C06 | 172.1° | 179.8° |
| C02 | C07 | N08 | C09 | 176.4° | 179.9° |
| C02 | C07 | C06 | C05 | 3.4° | 0.5° |
| C02 | C07 | C06 | N11 | 176.7° | 179.7° |
| C07 | C02 | C03 | H3 | 178.5° | 179.8° |
| C02 | C07 | N08 | H6 | 3.6° | 0.1° |
| C04 | C05 | C06 | C07 | 2.1° | 0.2° |
| C04 | C05 | C06 | H5 | 180.0° | 180.0° |
| C04 | C05 | C06 | N11 | 177.9° | 180.0° |
| C05 | C04 | C03 | H3 | 173.0° | 179.9° |
| C07 | N08 | C09 | H6 | 180.0° | 180.0° |
| N08 | C07 | C06 | C05 | 176.5° | 179.7° |
| N08 | C07 | C06 | N11 | 3.5° | 0.1° |
| C07 | N08 | C09 | N11 | 3.2° | 0.5° |
| C07 | N08 | C09 | O10 | 177.3° | 180.0° |
| C06 | C07 | N08 | C09 | 4.4° | 0.2° |
| C07 | C06 | C05 | N11 | 180.0° | 179.7° |
| C07 | C06 | N11 | C09 | 1.7° | 0.4° |
| C07 | C06 | N11 | C12 | 177.3° | 179.8° |
| C07 | C06 | C05 | H5 | 177.9° | 179.8° |
| C06 | C07 | N08 | H6 | 175.6° | 179.8° |
| N08 | C09 | N11 | C06 | 0.9° | 0.6° |
| N08 | C09 | N11 | O10 | 179.5° | 179.4° |
| N08 | C09 | N11 | C12 | 174.4° | 180.0° |
| C05 | C06 | N11 | C09 | 178.3° | 179.3° |
| C05 | C06 | N11 | C12 | 2.7° | 0.0° |
| C06 | C05 | C04 | H4 | 172.3° | 180.0° |
| C06 | N11 | C09 | C12 | 175.3° | 179.4° |
| C06 | N11 | C09 | O10 | 179.6° | 180.0° |
| C06 | N11 | C12 | C13 | 63.8° | 90.1° |
| N11 | C06 | C05 | H5 | 2.1° | 0.1° |
| C06 | N11 | C12 | H7 | 55.3° | 30.0° |
| C06 | N11 | C12 | H8 | 177.1° | 150.0° |
| C16 | C15 | C14 | H1 | 180.0° | 179.7° |
| C15 | C16 | C17 | H10 | 180.0° | 179.6° |
| C16 | C15 | C14 | C13 | 2.3° | 0.0° |
| C15 | C16 | C17 | C18 | 0.5° | 0.6° |
| C15 | C16 | C17 | H2 | 179.6° | 180.0° |
| C16 | C15 | C14 | H9 | 177.7° | 179.9° |
| C14 | C15 | C16 | C17 | 1.8° | 0.3° |
| C15 | C14 | C13 | H9 | 180.0° | 179.9° |
| C15 | C14 | C13 | C18 | 0.4° | 0.1° |
| C15 | C14 | C13 | C12 | 179.4° | 179.7° |
| C14 | C15 | C16 | H10 | 178.2° | 179.9° |
| C16 | C17 | C18 | H2 | 180.0° | 179.5° |
| C16 | C17 | C18 | C13 | 2.4° | 0.5° |
| C17 | C16 | C15 | H1 | 178.2° | 180.0° |
| C16 | C17 | C18 | H11 | 177.6° | 179.4° |
| C09 | N11 | C12 | C13 | 111.0° | 89.2° |
| N11 | C09 | N08 | H6 | 176.8° | 179.5° |
| C09 | N11 | C12 | H7 | 129.9° | 150.8° |
| C09 | N11 | C12 | H8 | 8.2° | 30.8° |
| O10 | C09 | N11 | C12 | 5.1° | 0.6° |
| O10 | C09 | N08 | H6 | 2.7° | 0.0° |
| N11 | C12 | C13 | C14 | 66.5° | 89.8° |
| N11 | C12 | C13 | C18 | 113.3° | 90.0° |
| N11 | C12 | C13 | H7 | 119.1° | 120.0° |
| N11 | C12 | C13 | H8 | 119.1° | 120.0° |
| N11 | C12 | H7 | H8 | 122.6° | 120.0° |
| C14 | C13 | C18 | C17 | 2.0° | 0.2° |
| C14 | C13 | C18 | C12 | 179.8° | 179.8° |
| C13 | C14 | C15 | H1 | 177.7° | 179.6° |
| C14 | C13 | C12 | H7 | 174.4° | 30.2° |
| C14 | C13 | C12 | H8 | 52.6° | 150.2° |
| C14 | C13 | C18 | H11 | 178.0° | 179.7° |
| C17 | C18 | C13 | H11 | 180.0° | 179.9° |
| C17 | C18 | C13 | C12 | 178.2° | 180.0° |
| C18 | C17 | C16 | H10 | 179.5° | 179.8° |
| C13 | C18 | C17 | H2 | 177.6° | 180.0° |
| C18 | C13 | C12 | H7 | 5.8° | 150.0° |
| C18 | C13 | C12 | H8 | 127.5° | 30.0° |
| C18 | C13 | C14 | H9 | 179.5° | 180.0° |
| C13 | C12 | H7 | H8 | 122.6° | 120.0° |
| C12 | C13 | C14 | H9 | 0.6° | 0.2° |
| C12 | C13 | C18 | H11 | 1.8° | 0.1° |
| H1 | C15 | C14 | H9 | 2.3° | 0.2° |
| H1 | C15 | C16 | H10 | 1.8° | 0.4° |
| H2 | C17 | C16 | H10 | 0.4° | 0.3° |
| H2 | C17 | C18 | H11 | 2.4° | 0.1° |
| H3 | C03 | C04 | H4 | 7.0° | 0.0° |
| H4 | C04 | C05 | H5 | 7.7° | 0.0° |
