VUZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL01 | C02 | sing | 1.74Å | 1.78Å | |
| C02 | C03 | doub | 1.39Å | 1.40Å | Aromatic |
| C02 | C31 | sing | 1.37Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.36Å | 1.40Å | Aromatic |
| C31 | C30 | doub | 1.40Å | 1.44Å | Aromatic |
| C04 | C05 | doub | 1.40Å | 1.45Å | Aromatic |
| C30 | C05 | sing | 1.42Å | 1.36Å | Aromatic |
| C30 | C17 | sing | 1.42Å | 1.44Å | Aromatic |
| C05 | N06 | sing | 1.34Å | 1.36Å | Aromatic |
| N18 | C17 | sing | 1.38Å | 1.45Å | |
| N18 | C19 | sing | 1.40Å | 1.46Å | |
| C17 | N16 | doub | 1.32Å | 1.32Å | Aromatic |
| C19 | C29 | doub | 1.39Å | 1.37Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C23 | sing | 1.39Å | 1.37Å | Aromatic |
| N06 | C07 | doub | 1.32Å | 1.34Å | Aromatic |
| N16 | C07 | sing | 1.33Å | 1.33Å | Aromatic |
| N24 | C23 | sing | 1.40Å | 1.44Å | |
| N24 | C25 | sing | 1.35Å | 1.42Å | |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C07 | N08 | sing | 1.38Å | 1.45Å | |
| C27 | C25 | sing | 1.47Å | 1.51Å | |
| C27 | C28 | doub | 1.33Å | 1.32Å | |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | O26 | doub | 1.22Å | 1.18Å | |
| N08 | C09 | sing | 1.41Å | 1.45Å | |
| C09 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
| C09 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | N11 | sing | 1.36Å | 1.33Å | Aromatic |
| N11 | C12 | sing | 1.46Å | 1.44Å | |
| N11 | N14 | sing | 1.40Å | 1.36Å | Aromatic |
| C15 | N14 | doub | 1.31Å | 1.32Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C27 | H13 | sing | 1.08Å | 1.08Å | |
| C28 | H14 | sing | 1.08Å | 1.08Å | |
| C28 | H15 | sing | 1.08Å | 1.08Å | |
| C29 | H16 | sing | 1.08Å | 1.08Å | |
| C31 | H17 | sing | 1.08Å | 1.08Å | |
| N08 | H18 | sing | 0.97Å | 1.00Å | |
| N18 | H19 | sing | 0.97Å | 1.00Å | |
| N24 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL01 | C02 | C03 | 118.1° | 119.6° |
| CL01 | C02 | C31 | 121.9° | 119.5° |
| C03 | C02 | C31 | 119.9° | 120.9° |
| C02 | C03 | C04 | 119.6° | 121.0° |
| C02 | C03 | H1 | 120.2° | 119.5° |
| C02 | C31 | C30 | 121.0° | 119.5° |
| C02 | C31 | H17 | 119.5° | 120.3° |
| C03 | C04 | C05 | 120.1° | 119.6° |
| C04 | C03 | H1 | 120.2° | 119.5° |
| C03 | C04 | H2 | 120.0° | 120.2° |
| C31 | C30 | C05 | 118.8° | 119.7° |
| C31 | C30 | C17 | 121.8° | 121.9° |
| C30 | C31 | H17 | 119.5° | 120.3° |
| C04 | C05 | C30 | 120.5° | 119.4° |
| C04 | C05 | N06 | 123.6° | 121.9° |
| C05 | C04 | H2 | 119.9° | 120.2° |
| C05 | C30 | C17 | 119.4° | 118.3° |
| C30 | C05 | N06 | 115.9° | 118.8° |
| C30 | C17 | N18 | 120.1° | 120.9° |
| C30 | C17 | N16 | 120.8° | 118.3° |
| C05 | N06 | C07 | 123.5° | 120.4° |
| C17 | N18 | C19 | 122.1° | 120.0° |
| N18 | C17 | N16 | 119.0° | 120.8° |
| C17 | N18 | H19 | 118.9° | 120.0° |
| N18 | C19 | C29 | 114.6° | 120.0° |
| N18 | C19 | C20 | 126.3° | 120.1° |
| C19 | N18 | H19 | 118.9° | 120.0° |
| C17 | N16 | C07 | 119.1° | 121.4° |
| C29 | C19 | C20 | 119.0° | 119.9° |
| C19 | C29 | C23 | 121.3° | 119.8° |
| C19 | C29 | H16 | 119.4° | 120.1° |
| C19 | C20 | C21 | 119.7° | 120.0° |
| C19 | C20 | H10 | 120.2° | 120.0° |
| C29 | C23 | N24 | 109.2° | 120.0° |
| C29 | C23 | C22 | 121.4° | 119.9° |
| C23 | C29 | H16 | 119.3° | 120.1° |
| N06 | C07 | N16 | 121.3° | 122.8° |
| N06 | C07 | N08 | 118.9° | 118.6° |
| N16 | C07 | N08 | 119.9° | 118.6° |
| C23 | N24 | C25 | 120.4° | 120.0° |
| N24 | C23 | C22 | 129.4° | 120.0° |
| C23 | N24 | H20 | 119.8° | 120.0° |
| N24 | C25 | C27 | 120.7° | 120.0° |
| N24 | C25 | O26 | 118.7° | 120.0° |
| C25 | N24 | H20 | 119.8° | 120.0° |
| C20 | C21 | C22 | 120.8° | 120.1° |
| C21 | C20 | H10 | 120.2° | 120.0° |
| C20 | C21 | H11 | 119.6° | 119.9° |
| C23 | C22 | C21 | 117.8° | 120.1° |
| C23 | C22 | H12 | 121.1° | 119.9° |
| C07 | N08 | C09 | 121.3° | 120.0° |
| C07 | N08 | H18 | 119.4° | 120.0° |
| C25 | C27 | C28 | 115.9° | 120.0° |
| C27 | C25 | O26 | 120.7° | 120.0° |
| C25 | C27 | H13 | 122.1° | 120.0° |
| C28 | C27 | H13 | 122.1° | 120.0° |
| C27 | C28 | H14 | 120.0° | 119.9° |
| C27 | C28 | H15 | 120.0° | 120.0° |
| C22 | C21 | H11 | 119.6° | 120.0° |
| C21 | C22 | H12 | 121.1° | 120.0° |
| N08 | C09 | C10 | 129.4° | 126.1° |
| N08 | C09 | C15 | 124.3° | 126.0° |
| C09 | N08 | H18 | 119.3° | 120.0° |
| C10 | C09 | C15 | 106.3° | 107.9° |
| C09 | C10 | N11 | 106.9° | 107.5° |
| C09 | C10 | H3 | 126.6° | 126.2° |
| C09 | C15 | N14 | 109.0° | 108.3° |
| C09 | C15 | H9 | 125.5° | 125.9° |
| C10 | N11 | C12 | 126.8° | 126.1° |
| C10 | N11 | N14 | 110.0° | 107.9° |
| N11 | C10 | H3 | 126.5° | 126.2° |
| C12 | N11 | N14 | 123.1° | 126.1° |
| N11 | C12 | C13 | 108.3° | 109.5° |
| N11 | C12 | H4 | 109.8° | 109.5° |
| N11 | C12 | H5 | 109.8° | 109.5° |
| N11 | N14 | C15 | 107.8° | 108.4° |
| N14 | C15 | H9 | 125.5° | 125.8° |
| C13 | C12 | H4 | 109.8° | 109.4° |
| C13 | C12 | H5 | 109.8° | 109.5° |
| C12 | C13 | H6 | 109.5° | 109.5° |
| C12 | C13 | H7 | 109.5° | 109.5° |
| C12 | C13 | H8 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.4° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.4° |
| H6 | C13 | H8 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H14 | C28 | H15 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL01 | C02 | C03 | C31 | 177.5° | 179.7° |
| CL01 | C02 | C03 | C04 | 178.1° | 179.7° |
| CL01 | C02 | C31 | C30 | 178.3° | 179.7° |
| CL01 | C02 | C03 | H1 | 1.9° | 0.3° |
| CL01 | C02 | C31 | H17 | 1.6° | 0.3° |
| C02 | C03 | C04 | H1 | 180.0° | 180.0° |
| C03 | C02 | C31 | C30 | 0.9° | 0.0° |
| C02 | C03 | C04 | C05 | 0.0° | 0.0° |
| C02 | C03 | C04 | H2 | 180.0° | 179.9° |
| C03 | C02 | C31 | H17 | 179.1° | 180.0° |
| C31 | C02 | C03 | C04 | 0.5° | 0.0° |
| C02 | C31 | C30 | H17 | 180.0° | 180.0° |
| C02 | C31 | C30 | C05 | 0.7° | 0.0° |
| C02 | C31 | C30 | C17 | 179.5° | 180.0° |
| C31 | C02 | C03 | H1 | 179.5° | 180.0° |
| C03 | C04 | C05 | H2 | 180.0° | 179.9° |
| C03 | C04 | C05 | C30 | 0.2° | 0.0° |
| C03 | C04 | C05 | N06 | 179.6° | 180.0° |
| C31 | C30 | C05 | C04 | 0.2° | 0.0° |
| C31 | C30 | C05 | C17 | 178.9° | 180.0° |
| C31 | C30 | C05 | N06 | 179.3° | 180.0° |
| C31 | C30 | C17 | N18 | 1.9° | 0.0° |
| C31 | C30 | C17 | N16 | 179.3° | 180.0° |
| C04 | C05 | C30 | N06 | 179.5° | 179.9° |
| C04 | C05 | C30 | C17 | 179.0° | 180.0° |
| C04 | C05 | N06 | C07 | 179.5° | 180.0° |
| C05 | C04 | C03 | H1 | 180.0° | 179.9° |
| C05 | C30 | C17 | N18 | 179.3° | 180.0° |
| C05 | C30 | C17 | N16 | 0.5° | 0.0° |
| C30 | C05 | N06 | C07 | 0.0° | 0.0° |
| C30 | C05 | C04 | H2 | 179.8° | 180.0° |
| C05 | C30 | C31 | H17 | 179.3° | 180.0° |
| C17 | C30 | C05 | N06 | 0.5° | 0.0° |
| C30 | C17 | N18 | N16 | 178.8° | 180.0° |
| C30 | C17 | N18 | C19 | 158.7° | 174.4° |
| C30 | C17 | N16 | C07 | 0.1° | 0.0° |
| C17 | C30 | C31 | H17 | 0.4° | 0.0° |
| C30 | C17 | N18 | H19 | 21.3° | 5.7° |
| C05 | N06 | C07 | N16 | 0.4° | 0.0° |
| C05 | N06 | C07 | N08 | 178.2° | 180.0° |
| N06 | C05 | C04 | H2 | 0.3° | 0.1° |
| C17 | N18 | C19 | H19 | 180.0° | 179.9° |
| C17 | N18 | C19 | C29 | 105.3° | 32.3° |
| C17 | N18 | C19 | C20 | 75.7° | 148.0° |
| N18 | C17 | N16 | C07 | 178.8° | 180.0° |
| C19 | N18 | C17 | N16 | 22.5° | 5.6° |
| N18 | C19 | C29 | C20 | 179.1° | 179.6° |
| N18 | C19 | C29 | C23 | 179.4° | 179.7° |
| N18 | C19 | C20 | C21 | 179.9° | 179.7° |
| N18 | C19 | C20 | H10 | 0.1° | 0.3° |
| N18 | C19 | C29 | H16 | 0.6° | 0.3° |
| C17 | N16 | C07 | N06 | 0.4° | 0.0° |
| C17 | N16 | C07 | N08 | 178.2° | 180.0° |
| N16 | C17 | N18 | H19 | 157.4° | 174.3° |
| C19 | C29 | C23 | H16 | 180.0° | 180.0° |
| C19 | C29 | C23 | N24 | 179.7° | 179.9° |
| C29 | C19 | C20 | C21 | 0.9° | 0.0° |
| C19 | C29 | C23 | C22 | 0.9° | 0.1° |
| C29 | C19 | C20 | H10 | 179.1° | 180.0° |
| C29 | C19 | N18 | H19 | 74.8° | 147.8° |
| C20 | C19 | C29 | C23 | 0.3° | 0.1° |
| C19 | C20 | C21 | H10 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.5° | 0.0° |
| C19 | C20 | C21 | H11 | 179.5° | 180.0° |
| C20 | C19 | C29 | H16 | 179.7° | 180.0° |
| C20 | C19 | N18 | H19 | 104.3° | 31.9° |
| C29 | C23 | N24 | C22 | 179.3° | 180.0° |
| C29 | C23 | N24 | C25 | 134.0° | 146.4° |
| C29 | C23 | C22 | C21 | 1.3° | 0.1° |
| C29 | C23 | C22 | H12 | 178.7° | 180.0° |
| C29 | C23 | N24 | H20 | 45.9° | 33.6° |
| N06 | C07 | N16 | N08 | 178.6° | 180.0° |
| N06 | C07 | N08 | C09 | 154.9° | 0.0° |
| N06 | C07 | N08 | H18 | 25.1° | 180.0° |
| N16 | C07 | N08 | C09 | 26.4° | 180.0° |
| N16 | C07 | N08 | H18 | 153.6° | 0.0° |
| C23 | N24 | C25 | H20 | 180.0° | 179.9° |
| C23 | N24 | C25 | C27 | 177.3° | 174.8° |
| N24 | C23 | C22 | C21 | 179.5° | 179.9° |
| C23 | N24 | C25 | O26 | 3.1° | 5.2° |
| N24 | C23 | C22 | H12 | 0.5° | 0.1° |
| N24 | C23 | C29 | H16 | 0.3° | 0.0° |
| C25 | N24 | C23 | C22 | 45.3° | 33.7° |
| N24 | C25 | C27 | O26 | 179.6° | 180.0° |
| N24 | C25 | C27 | C28 | 107.8° | 180.0° |
| N24 | C25 | C27 | H13 | 72.2° | 0.0° |
| C20 | C21 | C22 | C23 | 0.6° | 0.1° |
| C20 | C21 | C22 | H11 | 180.0° | 180.0° |
| C20 | C21 | C22 | H12 | 179.4° | 179.9° |
| C23 | C22 | C21 | H12 | 180.0° | 179.9° |
| C23 | C22 | C21 | H11 | 179.4° | 179.9° |
| C22 | C23 | C29 | H16 | 179.1° | 179.9° |
| C22 | C23 | N24 | H20 | 134.8° | 146.4° |
| C07 | N08 | C09 | H18 | 180.0° | 180.0° |
| C07 | N08 | C09 | C10 | 29.2° | 180.0° |
| C07 | N08 | C09 | C15 | 152.4° | 0.3° |
| C25 | C27 | C28 | H13 | 180.0° | 180.0° |
| C25 | C27 | C28 | H14 | 180.0° | 0.0° |
| C25 | C27 | C28 | H15 | 0.0° | 180.0° |
| C27 | C25 | N24 | H20 | 2.7° | 5.2° |
| C28 | C27 | C25 | O26 | 72.6° | 0.0° |
| C27 | C28 | H14 | H15 | 180.0° | 180.0° |
| C22 | C21 | C20 | H10 | 179.5° | 180.0° |
| O26 | C25 | C27 | H13 | 107.4° | 180.0° |
| O26 | C25 | N24 | H20 | 176.9° | 174.7° |
| N08 | C09 | C10 | C15 | 178.6° | 179.7° |
| N08 | C09 | C10 | N11 | 178.8° | 179.8° |
| N08 | C09 | C15 | N14 | 179.2° | 179.7° |
| N08 | C09 | C10 | H3 | 1.2° | 0.3° |
| N08 | C09 | C15 | H9 | 0.8° | 0.3° |
| C09 | C10 | N11 | H3 | 180.0° | 179.9° |
| C09 | C10 | N11 | C12 | 178.9° | 180.0° |
| C09 | C10 | N11 | N14 | 0.1° | 0.1° |
| C10 | C09 | C15 | N14 | 0.5° | 0.0° |
| C10 | C09 | C15 | H9 | 179.5° | 180.0° |
| C10 | C09 | N08 | H18 | 150.7° | 0.0° |
| C15 | C09 | C10 | N11 | 0.2° | 0.1° |
| C09 | C15 | N14 | N11 | 0.6° | 0.0° |
| C09 | C15 | N14 | H9 | 180.0° | 180.0° |
| C15 | C09 | C10 | H3 | 179.8° | 180.0° |
| C15 | C09 | N08 | H18 | 27.6° | 179.7° |
| C10 | N11 | C12 | N14 | 178.6° | 179.9° |
| C10 | N11 | N14 | C15 | 0.5° | 0.1° |
| C10 | N11 | C12 | C13 | 110.0° | 125.0° |
| C10 | N11 | C12 | H4 | 9.9° | 5.0° |
| C10 | N11 | C12 | H5 | 130.2° | 115.0° |
| C12 | N11 | N14 | C15 | 179.3° | 180.0° |
| N11 | C12 | C13 | H4 | 119.8° | 120.0° |
| N11 | C12 | C13 | H5 | 119.9° | 120.0° |
| C12 | N11 | C10 | H3 | 1.1° | 0.1° |
| N11 | C12 | H4 | H5 | 120.5° | 120.0° |
| N11 | C12 | C13 | H6 | 180.0° | 60.1° |
| N11 | C12 | C13 | H7 | 60.0° | 180.0° |
| N11 | C12 | C13 | H8 | 60.0° | 60.0° |
| N14 | N11 | C12 | C13 | 68.7° | 54.9° |
| N14 | N11 | C10 | H3 | 179.9° | 180.0° |
| N14 | N11 | C12 | H4 | 171.5° | 174.9° |
| N14 | N11 | C12 | H5 | 51.2° | 65.1° |
| N11 | N14 | C15 | H9 | 179.4° | 180.0° |
| C13 | C12 | H4 | H5 | 120.5° | 120.0° |
| C12 | C13 | H6 | H7 | 120.0° | 120.0° |
| C12 | C13 | H6 | H8 | 120.0° | 120.0° |
| C12 | C13 | H7 | H8 | 120.0° | 120.0° |
| H1 | C03 | C04 | H2 | 0.0° | 0.0° |
| H4 | C12 | C13 | H6 | 60.2° | 180.0° |
| H4 | C12 | C13 | H7 | 179.8° | 60.0° |
| H4 | C12 | C13 | H8 | 59.8° | 60.0° |
| H5 | C12 | C13 | H6 | 60.1° | 60.0° |
| H5 | C12 | C13 | H7 | 59.9° | 60.0° |
| H5 | C12 | C13 | H8 | 179.9° | 180.0° |
| H6 | C13 | H7 | H8 | 120.0° | 120.1° |
| H10 | C20 | C21 | H11 | 0.5° | 0.0° |
| H11 | C21 | C22 | H12 | 0.6° | 0.1° |
| H13 | C27 | C28 | H14 | 0.0° | 180.0° |
| H13 | C27 | C28 | H15 | 180.0° | 0.0° |
