WZZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | sing | 1.55Å | 1.30Å | |
| C12 | C08 | sing | 1.55Å | 1.67Å | |
| N23 | N24 | sing | 1.40Å | 1.35Å | Aromatic |
| N23 | C13 | sing | 1.35Å | 1.35Å | Aromatic |
| N24 | C15 | doub | 1.31Å | 1.36Å | Aromatic |
| C11 | C13 | sing | 1.51Å | 1.58Å | |
| C11 | C10 | sing | 1.55Å | 1.59Å | |
| C08 | O07 | sing | 1.45Å | 1.44Å | |
| C08 | C09 | sing | 1.54Å | 1.34Å | |
| C13 | C14 | doub | 1.35Å | 1.37Å | Aromatic |
| O07 | C05 | sing | 1.35Å | 1.37Å | |
| C15 | C14 | sing | 1.41Å | 1.40Å | Aromatic |
| C15 | N16 | sing | 1.40Å | 1.45Å | |
| C09 | C10 | sing | 1.54Å | 1.55Å | |
| O06 | C05 | doub | 1.21Å | 1.19Å | |
| C05 | N04 | sing | 1.35Å | 1.42Å | |
| N16 | C17 | sing | 1.39Å | 1.46Å | |
| C17 | N18 | doub | 1.32Å | 1.37Å | Aromatic |
| C17 | C22 | sing | 1.39Å | 1.42Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| N18 | C19 | sing | 1.32Å | 1.34Å | Aromatic |
| C02 | N04 | sing | 1.46Å | 1.47Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.43Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| N04 | H13 | sing | 0.97Å | 1.00Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| N16 | H21 | sing | 0.97Å | 1.00Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| N23 | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C08 | 108.3° | 104.2° |
| C12 | C11 | C13 | 111.2° | 110.8° |
| C12 | C11 | C10 | 104.8° | 102.8° |
| C12 | C11 | H17 | 112.6° | 110.9° |
| C11 | C12 | H18 | 109.8° | 110.5° |
| C11 | C12 | H19 | 109.8° | 110.5° |
| C12 | C08 | O07 | 107.9° | 110.2° |
| C12 | C08 | C09 | 104.3° | 106.6° |
| C12 | C08 | H14 | 107.0° | 110.0° |
| C08 | C12 | H18 | 109.8° | 110.6° |
| C08 | C12 | H19 | 109.7° | 110.5° |
| N24 | N23 | C13 | 111.7° | 108.1° |
| N23 | N24 | C15 | 106.7° | 108.2° |
| N24 | N23 | H23 | 124.2° | 126.0° |
| N23 | C13 | C11 | 124.7° | 126.1° |
| N23 | C13 | C14 | 106.0° | 107.9° |
| C13 | N23 | H23 | 124.2° | 125.9° |
| N24 | C15 | C14 | 107.7° | 108.0° |
| N24 | C15 | N16 | 124.8° | 126.0° |
| C13 | C11 | C10 | 111.5° | 110.7° |
| C11 | C13 | C14 | 129.2° | 126.0° |
| C13 | C11 | H17 | 108.5° | 110.6° |
| C11 | C10 | C09 | 104.8° | 104.3° |
| C11 | C10 | H1 | 110.6° | 110.5° |
| C11 | C10 | H2 | 110.6° | 110.5° |
| C10 | C11 | H17 | 108.4° | 110.8° |
| O07 | C08 | C09 | 115.7° | 110.0° |
| C08 | O07 | C05 | 112.7° | 117.0° |
| O07 | C08 | H14 | 109.9° | 110.0° |
| C08 | C09 | C10 | 101.1° | 106.6° |
| C09 | C08 | H14 | 111.5° | 110.0° |
| C08 | C09 | H15 | 111.5° | 110.1° |
| C08 | C09 | H16 | 111.5° | 110.1° |
| C13 | C14 | C15 | 107.9° | 107.9° |
| C13 | C14 | H20 | 126.0° | 126.1° |
| O07 | C05 | O06 | 122.2° | 120.0° |
| O07 | C05 | N04 | 115.2° | 120.0° |
| C14 | C15 | N16 | 127.5° | 126.0° |
| C15 | C14 | H20 | 126.0° | 126.0° |
| C15 | N16 | C17 | 121.8° | 120.0° |
| C15 | N16 | H21 | 119.1° | 120.0° |
| C09 | C10 | H1 | 110.6° | 110.5° |
| C09 | C10 | H2 | 110.6° | 110.5° |
| C10 | C09 | H15 | 111.5° | 110.0° |
| C10 | C09 | H16 | 111.5° | 110.0° |
| O06 | C05 | N04 | 122.5° | 120.0° |
| C05 | N04 | C02 | 121.0° | 120.0° |
| C05 | N04 | H13 | 119.5° | 120.0° |
| N16 | C17 | N18 | 121.1° | 119.7° |
| N16 | C17 | C22 | 117.1° | 119.7° |
| C17 | N16 | H21 | 119.1° | 120.0° |
| N18 | C17 | C22 | 121.8° | 120.6° |
| C17 | N18 | C19 | 119.8° | 121.6° |
| C17 | C22 | C21 | 119.4° | 119.1° |
| C17 | C22 | H5 | 120.3° | 120.5° |
| C01 | C02 | N04 | 114.1° | 109.5° |
| C01 | C02 | C03 | 107.4° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.4° |
| C02 | C01 | H7 | 109.4° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C01 | C02 | H9 | 110.5° | 109.4° |
| N18 | C19 | C20 | 121.5° | 120.9° |
| N18 | C19 | H22 | 119.3° | 119.6° |
| N04 | C02 | C03 | 102.4° | 109.5° |
| N04 | C02 | H9 | 111.4° | 109.5° |
| C02 | N04 | H13 | 119.5° | 120.0° |
| C03 | C02 | H9 | 110.6° | 109.5° |
| C02 | C03 | H10 | 109.5° | 109.5° |
| C02 | C03 | H11 | 109.5° | 109.5° |
| C02 | C03 | H12 | 109.5° | 109.5° |
| C22 | C21 | C20 | 117.3° | 118.5° |
| C22 | C21 | H4 | 121.4° | 120.7° |
| C21 | C22 | H5 | 120.3° | 120.4° |
| C19 | C20 | C21 | 120.2° | 119.3° |
| C19 | C20 | H3 | 119.9° | 120.3° |
| C20 | C19 | H22 | 119.2° | 119.5° |
| C21 | C20 | H3 | 119.9° | 120.3° |
| C20 | C21 | H4 | 121.4° | 120.8° |
| H1 | C10 | H2 | 109.4° | 110.5° |
| H6 | C01 | H7 | 109.4° | 109.5° |
| H6 | C01 | H8 | 109.5° | 109.4° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H10 | C03 | H11 | 109.4° | 109.5° |
| H10 | C03 | H12 | 109.5° | 109.5° |
| H11 | C03 | H12 | 109.5° | 109.4° |
| H15 | C09 | H16 | 109.5° | 110.0° |
| H18 | C12 | H19 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C08 | H18 | 119.8° | 118.7° |
| C11 | C12 | C08 | H19 | 119.8° | 118.6° |
| C12 | C11 | C13 | N23 | 81.6° | 29.5° |
| C12 | C11 | C13 | C10 | 116.5° | 113.3° |
| C12 | C11 | C13 | H17 | 124.3° | 123.4° |
| C12 | C11 | C10 | H17 | 120.4° | 118.5° |
| C11 | C12 | C08 | O07 | 96.7° | 142.8° |
| C11 | C12 | C08 | C09 | 26.9° | 23.5° |
| C12 | C11 | C13 | C14 | 100.0° | 150.2° |
| C12 | C11 | C10 | C09 | 22.3° | 38.0° |
| C12 | C11 | C10 | H1 | 141.6° | 80.7° |
| C12 | C11 | C10 | H2 | 96.9° | 156.7° |
| C11 | C12 | C08 | H14 | 145.2° | 95.7° |
| C11 | C12 | H18 | H19 | 120.5° | 122.6° |
| C08 | C12 | C11 | C13 | 120.2° | 156.2° |
| C08 | C12 | C11 | C10 | 0.4° | 37.9° |
| C12 | C08 | O07 | C09 | 116.4° | 117.2° |
| C12 | C08 | O07 | H14 | 116.3° | 121.5° |
| C12 | C08 | C09 | H14 | 115.2° | 119.2° |
| C12 | C08 | O07 | C05 | 179.8° | 151.4° |
| C12 | C08 | C09 | C10 | 38.2° | 0.1° |
| C12 | C08 | C09 | H15 | 156.9° | 119.2° |
| C12 | C08 | C09 | H16 | 80.4° | 119.3° |
| C08 | C12 | C11 | H17 | 117.9° | 80.6° |
| C08 | C12 | H18 | H19 | 120.5° | 122.7° |
| N24 | N23 | C13 | H23 | 180.0° | 179.7° |
| N24 | N23 | C13 | C11 | 178.3° | 179.7° |
| N24 | N23 | C13 | C14 | 0.4° | 0.0° |
| N23 | N24 | C15 | C14 | 0.9° | 0.4° |
| N23 | N24 | C15 | N16 | 179.1° | 180.0° |
| C13 | N23 | N24 | C15 | 0.8° | 0.3° |
| N23 | C13 | C11 | C14 | 178.3° | 179.7° |
| N23 | C13 | C11 | C10 | 161.9° | 83.8° |
| N23 | C13 | C14 | C15 | 0.2° | 0.3° |
| N23 | C13 | C11 | H17 | 42.6° | 152.9° |
| N23 | C13 | C14 | H20 | 179.8° | 179.8° |
| N24 | C15 | C14 | C13 | 0.7° | 0.4° |
| N24 | C15 | C14 | N16 | 180.0° | 179.6° |
| N24 | C15 | N16 | C17 | 120.9° | 174.7° |
| N24 | C15 | C14 | H20 | 179.3° | 179.6° |
| N24 | C15 | N16 | H21 | 59.2° | 5.3° |
| C15 | N24 | N23 | H23 | 179.2° | 180.0° |
| C13 | C11 | C10 | H17 | 119.3° | 123.2° |
| C11 | C13 | C14 | C15 | 178.8° | 180.0° |
| C13 | C11 | C10 | C09 | 142.7° | 156.3° |
| C13 | C11 | C10 | H1 | 98.1° | 37.6° |
| C13 | C11 | C10 | H2 | 23.4° | 85.0° |
| C13 | C11 | C12 | H18 | 0.3° | 85.1° |
| C13 | C11 | C12 | H19 | 120.1° | 37.5° |
| C11 | C13 | C14 | H20 | 1.2° | 0.1° |
| C11 | C13 | N23 | H23 | 1.7° | 0.1° |
| C11 | C10 | C09 | C08 | 39.6° | 23.7° |
| C10 | C11 | C13 | C14 | 16.5° | 96.5° |
| C11 | C10 | C09 | H1 | 119.3° | 118.8° |
| C11 | C10 | C09 | H2 | 119.3° | 118.7° |
| C11 | C10 | H1 | H2 | 122.2° | 122.6° |
| C11 | C10 | C09 | H15 | 158.3° | 95.6° |
| C11 | C10 | C09 | H16 | 79.0° | 143.0° |
| C10 | C11 | C12 | H18 | 120.2° | 156.7° |
| C10 | C11 | C12 | H19 | 119.4° | 80.7° |
| O07 | C08 | C09 | H14 | 126.5° | 121.3° |
| O07 | C08 | C09 | C10 | 80.1° | 119.3° |
| C08 | O07 | C05 | O06 | 27.4° | 0.0° |
| C08 | O07 | C05 | N04 | 150.9° | 180.0° |
| O07 | C08 | C09 | H15 | 38.5° | 121.4° |
| O07 | C08 | C09 | H16 | 161.2° | 0.1° |
| O07 | C08 | C12 | H18 | 23.2° | 98.5° |
| O07 | C08 | C12 | H19 | 143.5° | 24.2° |
| C09 | C08 | O07 | C05 | 63.8° | 91.4° |
| C08 | C09 | C10 | H15 | 118.7° | 119.3° |
| C08 | C09 | C10 | H16 | 118.6° | 119.3° |
| C08 | C09 | C10 | H1 | 158.9° | 95.1° |
| C08 | C09 | C10 | H2 | 79.7° | 142.4° |
| C08 | C09 | H15 | H16 | 123.9° | 121.5° |
| C09 | C08 | C12 | H18 | 146.7° | 142.2° |
| C09 | C08 | C12 | H19 | 92.9° | 95.1° |
| C13 | C14 | C15 | H20 | 180.0° | 179.9° |
| C13 | C14 | C15 | N16 | 179.3° | 180.0° |
| C14 | C13 | C11 | H17 | 135.7° | 26.8° |
| C14 | C13 | N23 | H23 | 179.6° | 179.7° |
| O07 | C05 | O06 | N04 | 178.1° | 179.9° |
| O07 | C05 | N04 | C02 | 34.7° | 180.0° |
| O07 | C05 | N04 | H13 | 145.3° | 0.0° |
| C05 | O07 | C08 | H14 | 63.5° | 29.9° |
| C14 | C15 | N16 | C17 | 59.2° | 5.8° |
| C14 | C15 | N16 | H21 | 120.8° | 174.2° |
| C15 | N16 | C17 | H21 | 180.0° | 180.0° |
| C15 | N16 | C17 | N18 | 25.8° | 5.7° |
| C15 | N16 | C17 | C22 | 155.3° | 174.5° |
| N16 | C15 | C14 | H20 | 0.7° | 0.0° |
| C09 | C10 | H1 | H2 | 122.2° | 122.5° |
| C10 | C09 | C08 | H14 | 153.4° | 119.3° |
| C10 | C09 | H15 | H16 | 123.9° | 121.3° |
| C09 | C10 | C11 | H17 | 98.1° | 80.5° |
| O06 | C05 | N04 | C02 | 147.0° | 0.0° |
| O06 | C05 | N04 | H13 | 33.0° | 180.0° |
| C05 | N04 | C02 | C01 | 106.9° | 155.0° |
| C05 | N04 | C02 | H13 | 180.0° | 180.0° |
| C05 | N04 | C02 | C03 | 137.4° | 85.0° |
| C05 | N04 | C02 | H9 | 19.1° | 35.0° |
| N16 | C17 | N18 | C22 | 178.9° | 179.7° |
| N16 | C17 | N18 | C19 | 178.9° | 179.8° |
| N16 | C17 | C22 | C21 | 179.1° | 179.8° |
| N16 | C17 | C22 | H5 | 0.9° | 0.3° |
| N18 | C17 | C22 | C21 | 0.1° | 0.0° |
| C17 | N18 | C19 | C20 | 0.4° | 0.0° |
| N18 | C17 | C22 | H5 | 179.9° | 180.0° |
| N18 | C17 | N16 | H21 | 154.2° | 174.2° |
| C17 | N18 | C19 | H22 | 179.6° | 179.9° |
| C22 | C17 | N18 | C19 | 0.0° | 0.0° |
| C17 | C22 | C21 | H5 | 180.0° | 179.9° |
| C17 | C22 | C21 | C20 | 0.2° | 0.1° |
| C17 | C22 | C21 | H4 | 179.8° | 180.0° |
| C22 | C17 | N16 | H21 | 24.8° | 5.5° |
| C01 | C02 | N04 | C03 | 115.8° | 120.0° |
| C01 | C02 | N04 | H9 | 126.0° | 119.9° |
| C01 | C02 | C03 | H9 | 120.7° | 119.9° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | C02 | C03 | H10 | 180.0° | 60.0° |
| C01 | C02 | C03 | H11 | 60.0° | 179.9° |
| C01 | C02 | C03 | H12 | 60.0° | 60.0° |
| C01 | C02 | N04 | H13 | 73.1° | 25.0° |
| N18 | C19 | C20 | H22 | 180.0° | 180.0° |
| N18 | C19 | C20 | C21 | 0.7° | 0.0° |
| N18 | C19 | C20 | H3 | 179.3° | 180.0° |
| N04 | C02 | C03 | H9 | 118.9° | 120.0° |
| N04 | C02 | C01 | H6 | 180.0° | 60.0° |
| N04 | C02 | C01 | H7 | 60.0° | 180.0° |
| N04 | C02 | C01 | H8 | 60.0° | 60.0° |
| N04 | C02 | C03 | H10 | 59.6° | 60.0° |
| N04 | C02 | C03 | H11 | 179.5° | 60.0° |
| N04 | C02 | C03 | H12 | 60.5° | 180.0° |
| C03 | C02 | C01 | H6 | 67.2° | 60.1° |
| C03 | C02 | C01 | H7 | 172.8° | 60.0° |
| C03 | C02 | C01 | H8 | 52.8° | 180.0° |
| C02 | C03 | H10 | H11 | 120.0° | 120.0° |
| C02 | C03 | H10 | H12 | 120.0° | 120.0° |
| C02 | C03 | H11 | H12 | 120.0° | 120.0° |
| C03 | C02 | N04 | H13 | 42.6° | 95.0° |
| C22 | C21 | C20 | C19 | 0.6° | 0.1° |
| C22 | C21 | C20 | H4 | 180.0° | 180.0° |
| C22 | C21 | C20 | H3 | 179.4° | 180.0° |
| C19 | C20 | C21 | H3 | 180.0° | 180.0° |
| C19 | C20 | C21 | H4 | 179.4° | 180.0° |
| C20 | C21 | C22 | H5 | 179.8° | 180.0° |
| C21 | C20 | C19 | H22 | 179.3° | 179.9° |
| H1 | C10 | C09 | H15 | 82.5° | 145.6° |
| H1 | C10 | C09 | H16 | 40.3° | 24.2° |
| H1 | C10 | C11 | H17 | 21.2° | 160.8° |
| H2 | C10 | C09 | H15 | 39.0° | 23.1° |
| H2 | C10 | C09 | H16 | 161.7° | 98.3° |
| H2 | C10 | C11 | H17 | 142.7° | 38.2° |
| H3 | C20 | C21 | H4 | 0.6° | 0.0° |
| H3 | C20 | C19 | H22 | 0.7° | 0.0° |
| H4 | C21 | C22 | H5 | 0.2° | 0.1° |
| H6 | C01 | H7 | H8 | 120.0° | 120.0° |
| H6 | C01 | C02 | H9 | 53.5° | 180.0° |
| H7 | C01 | C02 | H9 | 66.4° | 60.0° |
| H8 | C01 | C02 | H9 | 173.5° | 60.0° |
| H9 | C02 | C03 | H10 | 59.3° | 179.9° |
| H9 | C02 | C03 | H11 | 60.7° | 60.0° |
| H9 | C02 | C03 | H12 | 179.3° | 59.9° |
| H9 | C02 | N04 | H13 | 160.9° | 145.0° |
| H10 | C03 | H11 | H12 | 120.0° | 120.0° |
| H14 | C08 | C09 | H15 | 88.0° | 0.0° |
| H14 | C08 | C09 | H16 | 34.8° | 121.4° |
| H14 | C08 | C12 | H18 | 95.0° | 23.0° |
| H14 | C08 | C12 | H19 | 25.4° | 145.7° |
| H17 | C11 | C12 | H18 | 122.2° | 38.2° |
| H17 | C11 | C12 | H19 | 1.9° | 160.8° |
