WM5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.40Å | 1.42Å | Aromatic |
| C01 | N03 | sing | 1.39Å | 1.40Å | |
| C01 | C04 | sing | 1.39Å | 1.37Å | Aromatic |
| C02 | C05 | sing | 1.40Å | 1.42Å | Aromatic |
| C02 | C06 | sing | 1.47Å | 1.48Å | |
| N03 | C07 | sing | 1.40Å | 1.40Å | |
| C04 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C09 | doub | 1.38Å | 1.35Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.32Å | Aromatic |
| C06 | O10 | doub | 1.22Å | 1.25Å | |
| C06 | O11 | sing | 1.35Å | 1.27Å | |
| C07 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C07 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
| C12 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | O15 | sing | 1.36Å | 1.41Å | |
| C13 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| O15 | C18 | sing | 1.43Å | 1.34Å | |
| N03 | H19 | sing | 0.97Å | 1.00Å | |
| C04 | H20 | sing | 1.08Å | 1.08Å | |
| C05 | H21 | sing | 1.08Å | 1.08Å | |
| C13 | H25 | sing | 1.08Å | 1.08Å | |
| C16 | H27 | sing | 1.08Å | 1.08Å | |
| C17 | H28 | sing | 1.08Å | 1.08Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.08Å | 1.08Å | |
| C09 | H23 | sing | 1.08Å | 1.08Å | |
| O11 | H1 | sing | 0.97Å | 0.95Å | |
| C14 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | N03 | 118.9° | 120.1° |
| C02 | C01 | C04 | 119.0° | 119.7° |
| C01 | C02 | C05 | 116.0° | 119.5° |
| C01 | C02 | C06 | 125.7° | 120.2° |
| N03 | C01 | C04 | 122.0° | 120.2° |
| C01 | N03 | C07 | 124.2° | 120.0° |
| C01 | N03 | H19 | 117.9° | 120.0° |
| C01 | C04 | C08 | 121.2° | 120.0° |
| C01 | C04 | H20 | 119.4° | 120.0° |
| C05 | C02 | C06 | 118.0° | 120.3° |
| C02 | C05 | C09 | 122.4° | 119.9° |
| C02 | C05 | H21 | 118.8° | 120.0° |
| C02 | C06 | O10 | 115.1° | 120.0° |
| C02 | C06 | O11 | 118.8° | 120.0° |
| N03 | C07 | C12 | 117.8° | 120.1° |
| N03 | C07 | C13 | 119.6° | 120.1° |
| C07 | N03 | H19 | 117.9° | 120.0° |
| C04 | C08 | C09 | 120.4° | 120.5° |
| C08 | C04 | H20 | 119.4° | 120.0° |
| C04 | C08 | H22 | 119.8° | 119.8° |
| C05 | C09 | C08 | 120.6° | 120.4° |
| C09 | C05 | H21 | 118.8° | 120.1° |
| C05 | C09 | H23 | 119.7° | 119.8° |
| C09 | C08 | H22 | 119.8° | 119.7° |
| C08 | C09 | H23 | 119.7° | 119.8° |
| O10 | C06 | O11 | 126.0° | 120.0° |
| C06 | O11 | H1 | 109.5° | 117.0° |
| C12 | C07 | C13 | 122.1° | 119.8° |
| C07 | C12 | C14 | 117.2° | 119.9° |
| C07 | C12 | O15 | 115.1° | 120.1° |
| C07 | C13 | C16 | 121.2° | 120.0° |
| C07 | C13 | H25 | 119.4° | 120.0° |
| C14 | C12 | O15 | 127.6° | 120.1° |
| C12 | C14 | C17 | 120.2° | 120.0° |
| C12 | C14 | H26 | 119.9° | 120.0° |
| C12 | O15 | C18 | 122.5° | 117.0° |
| C13 | C16 | C17 | 118.0° | 120.2° |
| C16 | C13 | H25 | 119.4° | 120.1° |
| C13 | C16 | H27 | 121.0° | 119.9° |
| C14 | C17 | C16 | 121.2° | 120.2° |
| C14 | C17 | H28 | 119.4° | 119.9° |
| C17 | C14 | H26 | 119.9° | 120.0° |
| C17 | C16 | H27 | 121.0° | 119.9° |
| C16 | C17 | H28 | 119.4° | 119.9° |
| O15 | C18 | H30 | 109.5° | 109.5° |
| O15 | C18 | H31 | 109.5° | 109.5° |
| O15 | C18 | H29 | 109.5° | 109.5° |
| H30 | C18 | H31 | 109.5° | 109.5° |
| H30 | C18 | H29 | 109.5° | 109.5° |
| H31 | C18 | H29 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | N03 | C04 | 178.6° | 179.6° |
| C01 | C02 | C05 | C06 | 174.6° | 179.9° |
| C02 | C01 | N03 | C07 | 172.8° | 79.3° |
| C02 | C01 | C04 | C08 | 5.1° | 0.1° |
| C01 | C02 | C05 | C09 | 4.7° | 0.1° |
| C01 | C02 | C06 | O10 | 24.6° | 3.2° |
| C01 | C02 | C06 | O11 | 158.1° | 176.8° |
| C02 | C01 | N03 | H19 | 7.2° | 100.8° |
| C02 | C01 | C04 | H20 | 174.9° | 180.0° |
| C01 | C02 | C05 | H21 | 175.4° | 179.9° |
| N03 | C01 | C02 | C05 | 178.4° | 180.0° |
| N03 | C01 | C02 | C06 | 4.3° | 0.1° |
| C01 | N03 | C07 | H19 | 180.0° | 179.9° |
| N03 | C01 | C04 | C08 | 176.3° | 179.7° |
| C01 | N03 | C07 | C12 | 127.6° | 174.9° |
| C01 | N03 | C07 | C13 | 59.6° | 5.3° |
| N03 | C01 | C04 | H20 | 3.7° | 0.3° |
| C04 | C01 | C02 | C05 | 0.2° | 0.3° |
| C04 | C01 | C02 | C06 | 174.4° | 179.7° |
| C04 | C01 | N03 | C07 | 8.6° | 100.3° |
| C01 | C04 | C08 | H20 | 180.0° | 179.9° |
| C01 | C04 | C08 | C09 | 6.3° | 0.5° |
| C04 | C01 | N03 | H19 | 171.4° | 79.6° |
| C01 | C04 | C08 | H22 | 173.7° | 180.0° |
| C02 | C05 | C09 | H21 | 180.0° | 180.0° |
| C02 | C05 | C09 | C08 | 3.7° | 0.5° |
| C05 | C02 | C06 | O10 | 161.4° | 176.8° |
| C05 | C02 | C06 | O11 | 15.9° | 3.2° |
| C02 | C05 | C09 | H23 | 176.3° | 180.0° |
| C06 | C02 | C05 | C09 | 179.3° | 180.0° |
| C02 | C06 | O10 | O11 | 177.0° | 180.0° |
| C06 | C02 | C05 | H21 | 0.8° | 0.0° |
| C02 | C06 | O11 | H1 | 177.0° | 180.0° |
| N03 | C07 | C12 | C13 | 172.6° | 179.8° |
| N03 | C07 | C12 | C14 | 175.7° | 179.7° |
| N03 | C07 | C12 | O15 | 6.2° | 0.0° |
| N03 | C07 | C13 | C16 | 174.4° | 180.0° |
| N03 | C07 | C13 | H25 | 5.6° | 0.0° |
| C04 | C08 | C09 | C05 | 1.8° | 0.7° |
| C04 | C08 | C09 | H22 | 180.0° | 179.5° |
| C04 | C08 | C09 | H23 | 178.2° | 179.7° |
| C05 | C09 | C08 | H23 | 180.0° | 179.5° |
| C05 | C09 | C08 | H22 | 178.2° | 179.7° |
| C09 | C08 | C04 | H20 | 173.7° | 179.5° |
| C08 | C09 | C05 | H21 | 176.3° | 179.5° |
| O10 | C06 | O11 | H1 | 0.0° | 0.0° |
| C07 | C12 | C14 | O15 | 177.8° | 179.7° |
| C12 | C07 | C13 | C16 | 1.9° | 0.2° |
| C07 | C12 | C14 | C17 | 3.3° | 0.6° |
| C07 | C12 | O15 | C18 | 178.2° | 180.0° |
| C12 | C07 | N03 | H19 | 52.4° | 5.2° |
| C12 | C07 | C13 | H25 | 178.1° | 179.8° |
| C07 | C12 | C14 | H26 | 176.7° | 180.0° |
| C13 | C07 | C12 | C14 | 3.1° | 0.5° |
| C13 | C07 | C12 | O15 | 178.8° | 179.8° |
| C07 | C13 | C16 | H25 | 180.0° | 180.0° |
| C07 | C13 | C16 | C17 | 0.8° | 0.0° |
| C13 | C07 | N03 | H19 | 120.4° | 174.6° |
| C07 | C13 | C16 | H27 | 179.2° | 180.0° |
| C12 | C14 | C17 | H26 | 180.0° | 179.4° |
| C12 | C14 | C17 | C16 | 2.4° | 0.3° |
| C14 | C12 | O15 | C18 | 3.9° | 0.3° |
| C12 | C14 | C17 | H28 | 177.6° | 179.8° |
| O15 | C12 | C14 | C17 | 178.9° | 179.7° |
| C12 | O15 | C18 | H30 | 180.0° | 60.0° |
| C12 | O15 | C18 | H31 | 60.0° | 60.0° |
| C12 | O15 | C18 | H29 | 60.0° | 180.0° |
| O15 | C12 | C14 | H26 | 1.1° | 0.3° |
| C13 | C16 | C17 | C14 | 1.0° | 0.0° |
| C13 | C16 | C17 | H27 | 180.0° | 180.0° |
| C13 | C16 | C17 | H28 | 179.0° | 179.9° |
| C14 | C17 | C16 | H28 | 180.0° | 179.9° |
| C14 | C17 | C16 | H27 | 179.0° | 180.0° |
| C17 | C16 | C13 | H25 | 179.2° | 180.0° |
| C16 | C17 | C14 | H26 | 177.6° | 179.7° |
| O15 | C18 | H30 | H31 | 120.0° | 120.0° |
| O15 | C18 | H30 | H29 | 120.0° | 120.0° |
| O15 | C18 | H31 | H29 | 120.0° | 120.0° |
| H20 | C04 | C08 | H22 | 6.3° | 0.0° |
| H21 | C05 | C09 | H23 | 3.7° | 0.0° |
| H25 | C13 | C16 | H27 | 0.8° | 0.0° |
| H27 | C16 | C17 | H28 | 1.0° | 0.1° |
| H28 | C17 | C14 | H26 | 2.3° | 0.4° |
| H30 | C18 | H31 | H29 | 120.0° | 120.0° |
| H22 | C08 | C09 | H23 | 1.8° | 0.2° |
