G3Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N27 | C29 | doub | 1.32Å | 1.35Å | Aromatic |
| N27 | C24 | sing | 1.32Å | 1.35Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | N17 | sing | 1.40Å | 1.37Å | |
| N17 | C14 | sing | 1.39Å | 1.37Å | |
| C14 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C12 | sing | 1.41Å | 1.41Å | Aromatic |
| C18 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | N7 | sing | 1.31Å | 1.34Å | Aromatic |
| C12 | C11 | sing | 1.42Å | 1.41Å | Aromatic |
| N7 | C5 | doub | 1.33Å | 1.35Å | Aromatic |
| C16 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| C11 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C15 | sing | 1.48Å | 1.50Å | |
| C5 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | N3 | sing | 1.39Å | 1.36Å | |
| N3 | C2 | sing | 1.35Å | 1.34Å | |
| C15 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| C20 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | N4 | sing | 1.35Å | 1.33Å | |
| C2 | O1 | doub | 1.22Å | 1.24Å | |
| C19 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| N4 | C6 | sing | 1.46Å | 1.45Å | |
| C23 | N26 | doub | 1.32Å | 1.35Å | Aromatic |
| C22 | N26 | sing | 1.32Å | 1.35Å | Aromatic |
| C9 | C6 | sing | 1.53Å | 1.52Å | |
| N4 | H1 | sing | 0.97Å | 1.00Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C10 | H15 | sing | 1.08Å | 1.08Å | |
| N17 | H16 | sing | 0.97Å | 1.00Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C28 | H18 | sing | 1.08Å | 1.08Å | |
| C29 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | N27 | C24 | 122.0° | 121.8° |
| N27 | C29 | C28 | 119.6° | 120.9° |
| N27 | C29 | H19 | 120.2° | 119.5° |
| N27 | C24 | C21 | 120.8° | 120.6° |
| N27 | C24 | H20 | 119.6° | 119.7° |
| C29 | C28 | C25 | 119.5° | 119.3° |
| C29 | C28 | H18 | 120.2° | 120.4° |
| C28 | C29 | H19 | 120.2° | 119.6° |
| C24 | C21 | C25 | 118.5° | 119.0° |
| C24 | C21 | N17 | 119.8° | 120.5° |
| C21 | C24 | H20 | 119.6° | 119.7° |
| C28 | C25 | C21 | 119.6° | 118.3° |
| C28 | C25 | H17 | 120.2° | 120.8° |
| C25 | C28 | H18 | 120.3° | 120.4° |
| C25 | C21 | N17 | 121.7° | 120.5° |
| C21 | C25 | H17 | 120.2° | 120.9° |
| C21 | N17 | C14 | 128.7° | 120.0° |
| C21 | N17 | H16 | 115.7° | 120.0° |
| N17 | C14 | C18 | 121.8° | 120.1° |
| N17 | C14 | C12 | 119.8° | 120.1° |
| C14 | N17 | H16 | 115.7° | 120.0° |
| C18 | C14 | C12 | 118.5° | 119.7° |
| C14 | C18 | C16 | 120.3° | 121.0° |
| C14 | C18 | H14 | 119.9° | 119.5° |
| C14 | C12 | C10 | 119.7° | 121.8° |
| C14 | C12 | C11 | 121.6° | 119.4° |
| C18 | C16 | C13 | 121.4° | 120.8° |
| C18 | C16 | H13 | 119.3° | 119.5° |
| C16 | C18 | H14 | 119.9° | 119.5° |
| C12 | C10 | N7 | 121.0° | 120.2° |
| C10 | C12 | C11 | 118.7° | 118.8° |
| C12 | C10 | H15 | 119.6° | 119.9° |
| C10 | N7 | C5 | 122.0° | 122.6° |
| N7 | C10 | H15 | 119.5° | 119.9° |
| C12 | C11 | C13 | 119.2° | 119.6° |
| C12 | C11 | C8 | 118.9° | 118.4° |
| N7 | C5 | C8 | 120.0° | 121.5° |
| N7 | C5 | N3 | 117.2° | 119.3° |
| C16 | C13 | C11 | 119.0° | 119.5° |
| C16 | C13 | C15 | 117.2° | 120.3° |
| C13 | C16 | H13 | 119.3° | 119.6° |
| C13 | C11 | C8 | 121.8° | 122.0° |
| C11 | C13 | C15 | 123.8° | 120.2° |
| C11 | C8 | C5 | 119.4° | 118.5° |
| C11 | C8 | H8 | 120.3° | 120.7° |
| C13 | C15 | C20 | 121.7° | 120.9° |
| C13 | C15 | C19 | 119.5° | 120.9° |
| C8 | C5 | N3 | 122.7° | 119.2° |
| C5 | C8 | H8 | 120.3° | 120.8° |
| C5 | N3 | C2 | 124.5° | 120.0° |
| C5 | N3 | H7 | 117.8° | 120.0° |
| N3 | C2 | N4 | 115.6° | 120.0° |
| N3 | C2 | O1 | 123.5° | 120.0° |
| C2 | N3 | H7 | 117.7° | 120.0° |
| C20 | C15 | C19 | 118.6° | 118.1° |
| C15 | C20 | C23 | 119.3° | 119.0° |
| C15 | C20 | H9 | 120.4° | 120.5° |
| C15 | C19 | C22 | 119.5° | 119.0° |
| C15 | C19 | H12 | 120.2° | 120.5° |
| C20 | C23 | N26 | 120.7° | 120.9° |
| C23 | C20 | H9 | 120.3° | 120.5° |
| C20 | C23 | H10 | 119.7° | 119.5° |
| N4 | C2 | O1 | 121.0° | 120.1° |
| C2 | N4 | C6 | 126.7° | 120.0° |
| C2 | N4 | H1 | 116.6° | 120.0° |
| C19 | C22 | N26 | 120.5° | 120.9° |
| C19 | C22 | H11 | 119.8° | 119.6° |
| C22 | C19 | H12 | 120.3° | 120.5° |
| N4 | C6 | C9 | 108.2° | 109.5° |
| C6 | N4 | H1 | 116.7° | 120.0° |
| N4 | C6 | H2 | 109.8° | 109.5° |
| N4 | C6 | H3 | 109.8° | 109.4° |
| C23 | N26 | C22 | 121.4° | 122.0° |
| N26 | C23 | H10 | 119.6° | 119.6° |
| N26 | C22 | H11 | 119.8° | 119.5° |
| C9 | C6 | H2 | 109.8° | 109.4° |
| C9 | C6 | H3 | 109.8° | 109.4° |
| C6 | C9 | H4 | 109.5° | 109.5° |
| C6 | C9 | H5 | 109.5° | 109.5° |
| C6 | C9 | H6 | 109.4° | 109.5° |
| H2 | C6 | H3 | 109.5° | 109.5° |
| H4 | C9 | H5 | 109.4° | 109.5° |
| H4 | C9 | H6 | 109.5° | 109.5° |
| H5 | C9 | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N27 | C29 | C28 | H19 | 180.0° | 179.9° |
| C29 | N27 | C24 | C21 | 0.1° | 0.6° |
| N27 | C29 | C28 | C25 | 0.4° | 0.1° |
| N27 | C29 | C28 | H18 | 179.6° | 180.0° |
| C29 | N27 | C24 | H20 | 179.9° | 179.9° |
| C24 | N27 | C29 | C28 | 0.5° | 0.3° |
| N27 | C24 | C21 | H20 | 180.0° | 179.5° |
| N27 | C24 | C21 | C25 | 0.7° | 0.6° |
| N27 | C24 | C21 | N17 | 179.0° | 179.7° |
| C24 | N27 | C29 | H19 | 179.6° | 179.7° |
| C29 | C28 | C25 | H18 | 180.0° | 180.0° |
| C29 | C28 | C25 | C21 | 0.2° | 0.0° |
| C29 | C28 | C25 | H17 | 179.8° | 180.0° |
| C24 | C21 | C25 | C28 | 0.8° | 0.3° |
| C24 | C21 | C25 | N17 | 178.3° | 179.7° |
| C24 | C21 | N17 | C14 | 137.9° | 138.2° |
| C24 | C21 | N17 | H16 | 42.1° | 41.8° |
| C24 | C21 | C25 | H17 | 179.2° | 179.8° |
| C28 | C25 | C21 | H17 | 180.0° | 179.9° |
| C28 | C25 | C21 | N17 | 179.0° | 180.0° |
| C25 | C28 | C29 | H19 | 179.6° | 180.0° |
| C25 | C21 | N17 | C14 | 43.9° | 42.1° |
| C25 | C21 | N17 | H16 | 136.1° | 137.9° |
| C21 | C25 | C28 | H18 | 179.8° | 180.0° |
| C25 | C21 | C24 | H20 | 179.3° | 180.0° |
| C21 | N17 | C14 | H16 | 180.0° | 180.0° |
| C21 | N17 | C14 | C18 | 16.9° | 7.8° |
| C21 | N17 | C14 | C12 | 162.8° | 172.3° |
| N17 | C21 | C25 | H17 | 1.0° | 0.1° |
| N17 | C21 | C24 | H20 | 1.0° | 0.3° |
| N17 | C14 | C18 | C12 | 179.8° | 179.9° |
| N17 | C14 | C18 | C16 | 178.9° | 180.0° |
| N17 | C14 | C12 | C10 | 0.2° | 0.1° |
| N17 | C14 | C12 | C11 | 178.1° | 180.0° |
| N17 | C14 | C18 | H14 | 1.1° | 0.1° |
| C14 | C18 | C16 | H14 | 180.0° | 179.9° |
| C18 | C14 | C12 | C10 | 180.0° | 180.0° |
| C18 | C14 | C12 | C11 | 2.1° | 0.0° |
| C14 | C18 | C16 | C13 | 0.1° | 0.1° |
| C14 | C18 | C16 | H13 | 179.9° | 180.0° |
| C18 | C14 | N17 | H16 | 163.1° | 172.2° |
| C12 | C14 | C18 | C16 | 1.3° | 0.1° |
| C14 | C12 | C10 | C11 | 178.0° | 179.9° |
| C14 | C12 | C10 | N7 | 179.0° | 179.8° |
| C14 | C12 | C11 | C13 | 1.5° | 0.0° |
| C14 | C12 | C11 | C8 | 178.8° | 180.0° |
| C12 | C14 | C18 | H14 | 178.7° | 180.0° |
| C14 | C12 | C10 | H15 | 1.0° | 0.1° |
| C12 | C14 | N17 | H16 | 17.1° | 7.7° |
| C18 | C16 | C13 | H13 | 180.0° | 179.9° |
| C18 | C16 | C13 | C11 | 0.6° | 0.1° |
| C18 | C16 | C13 | C15 | 177.9° | 180.0° |
| C12 | C10 | N7 | H15 | 180.0° | 179.9° |
| C12 | C10 | N7 | C5 | 1.5° | 0.4° |
| C10 | C12 | C11 | C13 | 179.5° | 180.0° |
| C10 | C12 | C11 | C8 | 0.9° | 0.1° |
| N7 | C10 | C12 | C11 | 1.1° | 0.1° |
| C10 | N7 | C5 | C8 | 1.7° | 0.5° |
| C10 | N7 | C5 | N3 | 179.7° | 179.8° |
| C12 | C11 | C13 | C16 | 0.2° | 0.0° |
| C12 | C11 | C13 | C8 | 179.6° | 179.9° |
| C12 | C11 | C13 | C15 | 178.6° | 180.0° |
| C12 | C11 | C8 | C5 | 1.1° | 0.0° |
| C12 | C11 | C8 | H8 | 178.9° | 179.9° |
| C11 | C12 | C10 | H15 | 178.9° | 180.0° |
| N7 | C5 | C8 | C11 | 1.5° | 0.3° |
| N7 | C5 | C8 | N3 | 177.9° | 179.7° |
| N7 | C5 | N3 | C2 | 149.9° | 5.1° |
| N7 | C5 | N3 | H7 | 30.1° | 174.9° |
| N7 | C5 | C8 | H8 | 178.5° | 179.8° |
| C5 | N7 | C10 | H15 | 178.5° | 179.7° |
| C16 | C13 | C11 | C15 | 178.4° | 180.0° |
| C16 | C13 | C11 | C8 | 179.8° | 180.0° |
| C16 | C13 | C15 | C20 | 39.4° | 50.0° |
| C16 | C13 | C15 | C19 | 135.1° | 129.7° |
| C13 | C16 | C18 | H14 | 180.0° | 180.0° |
| C13 | C11 | C8 | C5 | 179.3° | 180.0° |
| C11 | C13 | C15 | C20 | 142.2° | 130.0° |
| C11 | C13 | C15 | C19 | 43.4° | 50.3° |
| C13 | C11 | C8 | H8 | 0.7° | 0.0° |
| C11 | C13 | C16 | H13 | 179.4° | 180.0° |
| C8 | C11 | C13 | C15 | 1.8° | 0.1° |
| C11 | C8 | C5 | H8 | 180.0° | 180.0° |
| C11 | C8 | C5 | N3 | 179.4° | 180.0° |
| C13 | C15 | C20 | C19 | 174.5° | 179.7° |
| C13 | C15 | C20 | C23 | 177.3° | 180.0° |
| C13 | C15 | C19 | C22 | 178.1° | 179.7° |
| C13 | C15 | C20 | H9 | 2.7° | 0.0° |
| C13 | C15 | C19 | H12 | 1.9° | 0.0° |
| C15 | C13 | C16 | H13 | 2.1° | 0.0° |
| C8 | C5 | N3 | C2 | 32.2° | 174.6° |
| C8 | C5 | N3 | H7 | 147.8° | 5.4° |
| C5 | N3 | C2 | H7 | 180.0° | 180.0° |
| C5 | N3 | C2 | N4 | 166.2° | 175.0° |
| C5 | N3 | C2 | O1 | 13.9° | 4.7° |
| N3 | C5 | C8 | H8 | 0.6° | 0.1° |
| N3 | C2 | N4 | O1 | 179.9° | 179.7° |
| N3 | C2 | N4 | C6 | 178.2° | 179.8° |
| N3 | C2 | N4 | H1 | 1.8° | 0.3° |
| C15 | C20 | C23 | H9 | 180.0° | 180.0° |
| C20 | C15 | C19 | C22 | 3.5° | 0.6° |
| C15 | C20 | C23 | N26 | 1.3° | 0.0° |
| C15 | C20 | C23 | H10 | 178.8° | 180.0° |
| C20 | C15 | C19 | H12 | 176.5° | 179.7° |
| C19 | C15 | C20 | C23 | 2.8° | 0.3° |
| C15 | C19 | C22 | H12 | 180.0° | 179.7° |
| C15 | C19 | C22 | N26 | 2.7° | 0.6° |
| C19 | C15 | C20 | H9 | 177.2° | 179.7° |
| C15 | C19 | C22 | H11 | 177.3° | 179.7° |
| C20 | C23 | N26 | H10 | 180.0° | 180.0° |
| C20 | C23 | N26 | C22 | 0.4° | 0.0° |
| C2 | N4 | C6 | H1 | 180.0° | 179.9° |
| C2 | N4 | C6 | C9 | 155.4° | 180.0° |
| C2 | N4 | C6 | H2 | 35.6° | 60.0° |
| C2 | N4 | C6 | H3 | 84.8° | 60.1° |
| N4 | C2 | N3 | H7 | 13.8° | 5.0° |
| O1 | C2 | N4 | C6 | 1.9° | 0.0° |
| O1 | C2 | N4 | H1 | 178.1° | 180.0° |
| O1 | C2 | N3 | H7 | 166.1° | 175.3° |
| C19 | C22 | N26 | C23 | 1.1° | 0.4° |
| C19 | C22 | N26 | H11 | 180.0° | 179.6° |
| N4 | C6 | C9 | H2 | 119.8° | 120.1° |
| N4 | C6 | C9 | H3 | 119.8° | 120.0° |
| N4 | C6 | H2 | H3 | 120.6° | 120.0° |
| N4 | C6 | C9 | H4 | 180.0° | 60.0° |
| N4 | C6 | C9 | H5 | 60.0° | 179.9° |
| N4 | C6 | C9 | H6 | 60.0° | 60.0° |
| N26 | C23 | C20 | H9 | 178.8° | 180.0° |
| C23 | N26 | C22 | H11 | 178.9° | 180.0° |
| C22 | N26 | C23 | H10 | 179.6° | 179.9° |
| N26 | C22 | C19 | H12 | 177.3° | 179.7° |
| C9 | C6 | N4 | H1 | 24.6° | 0.1° |
| C9 | C6 | H2 | H3 | 120.6° | 120.0° |
| C6 | C9 | H4 | H5 | 120.0° | 120.0° |
| C6 | C9 | H4 | H6 | 120.0° | 120.0° |
| C6 | C9 | H5 | H6 | 120.0° | 120.0° |
| H1 | N4 | C6 | H2 | 144.4° | 119.9° |
| H1 | N4 | C6 | H3 | 95.2° | 120.0° |
| H2 | C6 | C9 | H4 | 60.2° | 60.0° |
| H2 | C6 | C9 | H5 | 179.8° | 60.0° |
| H2 | C6 | C9 | H6 | 59.8° | 180.0° |
| H3 | C6 | C9 | H4 | 60.2° | 180.0° |
| H3 | C6 | C9 | H5 | 59.8° | 60.0° |
| H3 | C6 | C9 | H6 | 179.8° | 60.0° |
| H4 | C9 | H5 | H6 | 120.0° | 120.0° |
| H9 | C20 | C23 | H10 | 1.2° | 0.0° |
| H11 | C22 | C19 | H12 | 2.7° | 0.0° |
| H13 | C16 | C18 | H14 | 0.0° | 0.1° |
| H17 | C25 | C28 | H18 | 0.2° | 0.1° |
| H18 | C28 | C29 | H19 | 0.4° | 0.1° |
