GZ4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C1 | C2 | doub | 1.36Å | 1.39Å | Aromatic |
| C1 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.41Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.36Å | 1.39Å | Aromatic |
| C3 | N | doub | 1.33Å | 1.39Å | Aromatic |
| C3 | C8 | sing | 1.47Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| N | C4 | sing | 1.32Å | 1.30Å | Aromatic |
| C8 | N3 | doub | 1.34Å | 1.42Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| O1 | C7 | doub | 1.21Å | 1.23Å | |
| C4 | C7 | sing | 1.48Å | 1.46Å | |
| C4 | C5 | doub | 1.42Å | 1.48Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | N2 | sing | 1.35Å | 1.39Å | |
| N3 | C5 | sing | 1.32Å | 1.36Å | Aromatic |
| N3 | C12 | sing | 1.46Å | 1.46Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | N1 | sing | 1.39Å | 1.38Å | |
| C20 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| N2 | C6 | sing | 1.34Å | 1.37Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| N1 | C6 | sing | 1.34Å | 1.37Å | |
| C6 | O | doub | 1.22Å | 1.22Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 119.1° | 119.2° |
| C | C1 | C10 | 121.6° | 119.2° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H1 | 109.5° | 109.4° |
| C1 | C | H | 109.5° | 109.5° |
| C2 | C1 | C10 | 119.3° | 121.6° |
| C1 | C2 | C3 | 121.3° | 119.5° |
| C1 | C2 | H3 | 119.3° | 120.3° |
| C1 | C10 | C11 | 121.6° | 119.1° |
| C1 | C10 | C9 | 119.4° | 121.7° |
| C11 | C10 | C9 | 119.0° | 119.2° |
| C10 | C11 | H8 | 109.5° | 109.5° |
| C10 | C11 | H7 | 109.5° | 109.5° |
| C10 | C11 | H9 | 109.5° | 109.5° |
| C2 | C3 | N | 118.3° | 121.8° |
| C2 | C3 | C8 | 119.4° | 118.8° |
| C3 | C2 | H3 | 119.4° | 120.2° |
| C10 | C9 | C8 | 121.3° | 119.5° |
| C10 | C9 | H6 | 119.4° | 120.2° |
| N | C3 | C8 | 122.2° | 119.4° |
| C3 | N | C4 | 118.4° | 119.4° |
| C3 | C8 | C9 | 119.3° | 118.8° |
| C3 | C8 | N3 | 118.1° | 119.5° |
| C9 | C8 | N3 | 122.5° | 121.7° |
| C8 | C9 | H6 | 119.4° | 120.2° |
| N | C4 | C7 | 118.2° | 120.7° |
| N | C4 | C5 | 123.9° | 121.3° |
| C8 | N3 | C5 | 121.0° | 119.5° |
| C8 | N3 | C12 | 120.5° | 120.3° |
| C17 | C18 | C19 | 119.6° | 120.0° |
| C18 | C17 | C16 | 120.3° | 120.0° |
| C17 | C18 | H18 | 120.2° | 120.0° |
| C18 | C17 | H17 | 119.8° | 120.0° |
| C18 | C19 | C20 | 120.2° | 120.0° |
| C18 | C19 | H19 | 119.9° | 120.0° |
| C19 | C18 | H18 | 120.2° | 120.0° |
| C17 | C16 | C15 | 120.6° | 120.0° |
| C16 | C17 | H17 | 119.9° | 120.0° |
| C17 | C16 | H16 | 119.7° | 120.0° |
| O1 | C7 | C4 | 124.1° | 120.8° |
| O1 | C7 | N2 | 120.0° | 120.9° |
| C7 | C4 | C5 | 117.9° | 117.9° |
| C4 | C7 | N2 | 115.9° | 118.3° |
| C4 | C5 | N3 | 116.4° | 120.9° |
| C4 | C5 | N1 | 118.2° | 118.6° |
| C19 | C20 | C15 | 120.7° | 120.0° |
| C19 | C20 | H20 | 119.7° | 120.0° |
| C20 | C19 | H19 | 119.9° | 120.0° |
| C7 | N2 | C6 | 127.0° | 121.3° |
| C7 | N2 | H5 | 116.5° | 119.4° |
| C5 | N3 | C12 | 118.6° | 120.3° |
| N3 | C5 | N1 | 125.2° | 120.6° |
| N3 | C12 | C13 | 112.3° | 109.5° |
| N3 | C12 | H10 | 108.8° | 109.5° |
| N3 | C12 | H11 | 108.8° | 109.5° |
| C16 | C15 | C20 | 118.5° | 120.0° |
| C16 | C15 | C14 | 120.5° | 120.0° |
| C15 | C16 | H16 | 119.7° | 120.0° |
| C5 | N1 | C6 | 124.2° | 120.9° |
| C5 | N1 | H4 | 117.9° | 119.6° |
| C20 | C15 | C14 | 120.9° | 120.0° |
| C15 | C20 | H20 | 119.6° | 120.0° |
| C12 | C13 | C14 | 112.8° | 109.5° |
| C13 | C12 | H10 | 108.8° | 109.5° |
| C13 | C12 | H11 | 108.8° | 109.4° |
| C12 | C13 | H12 | 108.7° | 109.5° |
| C12 | C13 | H13 | 108.7° | 109.4° |
| C15 | C14 | C13 | 110.9° | 109.5° |
| C15 | C14 | H15 | 109.1° | 109.5° |
| C15 | C14 | H14 | 109.1° | 109.5° |
| N2 | C6 | N1 | 116.2° | 123.0° |
| N2 | C6 | O | 122.1° | 118.5° |
| C6 | N2 | H5 | 116.5° | 119.3° |
| C14 | C13 | H12 | 108.6° | 109.5° |
| C14 | C13 | H13 | 108.6° | 109.5° |
| C13 | C14 | H15 | 109.1° | 109.5° |
| C13 | C14 | H14 | 109.1° | 109.4° |
| N1 | C6 | O | 121.7° | 118.5° |
| C6 | N1 | H4 | 117.9° | 119.5° |
| H8 | C11 | H7 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H7 | C11 | H9 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.4° |
| H12 | C13 | H13 | 109.5° | 109.4° |
| H15 | C14 | H14 | 109.5° | 109.5° |
| H2 | C | H1 | 109.5° | 109.4° |
| H2 | C | H | 109.5° | 109.5° |
| H1 | C | H | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C10 | 179.2° | 179.9° |
| C | C1 | C10 | C11 | 2.8° | 0.1° |
| C | C1 | C2 | C3 | 177.4° | 180.0° |
| C | C1 | C10 | C9 | 179.9° | 179.9° |
| C | C1 | C2 | H3 | 2.6° | 0.0° |
| C1 | C | H2 | H1 | 120.0° | 119.9° |
| C1 | C | H2 | H | 120.0° | 120.1° |
| C1 | C | H1 | H | 120.0° | 120.0° |
| C2 | C1 | C10 | C11 | 176.3° | 180.0° |
| C1 | C2 | C3 | H3 | 180.0° | 179.9° |
| C2 | C1 | C10 | C9 | 0.7° | 0.1° |
| C1 | C2 | C3 | N | 174.4° | 180.0° |
| C1 | C2 | C3 | C8 | 2.9° | 0.0° |
| C2 | C1 | C | H2 | 89.6° | 90.0° |
| C2 | C1 | C | H1 | 150.4° | 150.0° |
| C2 | C1 | C | H | 30.4° | 30.1° |
| C1 | C10 | C11 | C9 | 177.1° | 179.8° |
| C10 | C1 | C2 | C3 | 1.8° | 0.1° |
| C1 | C10 | C9 | C8 | 2.2° | 0.1° |
| C1 | C10 | C9 | H6 | 177.8° | 179.7° |
| C1 | C10 | C11 | H8 | 88.5° | 89.8° |
| C1 | C10 | C11 | H7 | 151.6° | 30.1° |
| C1 | C10 | C11 | H9 | 31.5° | 150.2° |
| C10 | C1 | C2 | H3 | 178.2° | 180.0° |
| C10 | C1 | C | H2 | 89.6° | 89.9° |
| C10 | C1 | C | H1 | 30.4° | 30.0° |
| C10 | C1 | C | H | 150.4° | 150.0° |
| C11 | C10 | C9 | C8 | 174.9° | 180.0° |
| C11 | C10 | C9 | H6 | 5.1° | 0.2° |
| C10 | C11 | H8 | H7 | 120.0° | 120.0° |
| C10 | C11 | H8 | H9 | 120.0° | 120.0° |
| C10 | C11 | H7 | H9 | 120.0° | 120.0° |
| C2 | C3 | N | C8 | 177.2° | 180.0° |
| C2 | C3 | C8 | C9 | 1.4° | 0.0° |
| C2 | C3 | N | C4 | 177.3° | 180.0° |
| C2 | C3 | C8 | N3 | 178.7° | 179.8° |
| C10 | C9 | C8 | C3 | 1.1° | 0.1° |
| C10 | C9 | C8 | H6 | 180.0° | 179.8° |
| C10 | C9 | C8 | N3 | 176.0° | 179.8° |
| C9 | C10 | C11 | H8 | 88.6° | 90.0° |
| C9 | C10 | C11 | H7 | 31.4° | 150.0° |
| C9 | C10 | C11 | H9 | 151.4° | 30.0° |
| N | C3 | C8 | C9 | 175.8° | 180.0° |
| N | C3 | C8 | N3 | 1.5° | 0.2° |
| C3 | N | C4 | C7 | 175.1° | 179.9° |
| C3 | N | C4 | C5 | 2.0° | 0.3° |
| N | C3 | C2 | H3 | 5.6° | 0.1° |
| C3 | C8 | C9 | N3 | 177.1° | 179.8° |
| C8 | C3 | N | C4 | 0.0° | 0.0° |
| C3 | C8 | N3 | C5 | 0.9° | 0.2° |
| C3 | C8 | N3 | C12 | 179.2° | 179.8° |
| C3 | C8 | C9 | H6 | 178.9° | 179.7° |
| C8 | C3 | C2 | H3 | 177.1° | 179.9° |
| C9 | C8 | N3 | C5 | 176.2° | 180.0° |
| C9 | C8 | N3 | C12 | 3.6° | 0.0° |
| N | C4 | C7 | O1 | 3.2° | 0.3° |
| N | C4 | C7 | C5 | 177.2° | 179.7° |
| N | C4 | C7 | N2 | 176.5° | 179.7° |
| N | C4 | C5 | N3 | 2.4° | 0.3° |
| N | C4 | C5 | N1 | 173.3° | 179.7° |
| C8 | N3 | C5 | C4 | 0.8° | 0.0° |
| C8 | N3 | C5 | C12 | 179.8° | 180.0° |
| C8 | N3 | C5 | N1 | 174.6° | 180.0° |
| C8 | N3 | C12 | C13 | 78.1° | 90.0° |
| N3 | C8 | C9 | H6 | 4.0° | 0.0° |
| C8 | N3 | C12 | H10 | 42.4° | 149.9° |
| C8 | N3 | C12 | H11 | 161.5° | 30.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.8° |
| C18 | C17 | C16 | H17 | 180.0° | 179.8° |
| C17 | C18 | C19 | C20 | 0.5° | 0.1° |
| C18 | C17 | C16 | C15 | 0.7° | 0.5° |
| C17 | C18 | C19 | H19 | 179.5° | 180.0° |
| C18 | C17 | C16 | H16 | 179.3° | 179.9° |
| C19 | C18 | C17 | C16 | 0.9° | 0.2° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C15 | 0.0° | 0.0° |
| C18 | C19 | C20 | H20 | 180.0° | 179.9° |
| C19 | C18 | C17 | H17 | 179.1° | 180.0° |
| C17 | C16 | C15 | H16 | 180.0° | 179.4° |
| C17 | C16 | C15 | C20 | 0.2° | 0.5° |
| C17 | C16 | C15 | C14 | 177.3° | 179.7° |
| C16 | C17 | C18 | H18 | 179.1° | 180.0° |
| O1 | C7 | C4 | N2 | 179.7° | 180.0° |
| O1 | C7 | C4 | C5 | 174.0° | 180.0° |
| O1 | C7 | N2 | C6 | 179.9° | 180.0° |
| O1 | C7 | N2 | H5 | 0.2° | 0.0° |
| C7 | C4 | C5 | N3 | 174.6° | 180.0° |
| C7 | C4 | C5 | N1 | 9.6° | 0.0° |
| C4 | C7 | N2 | C6 | 0.1° | 0.1° |
| C4 | C7 | N2 | H5 | 179.9° | 180.0° |
| C5 | C4 | C7 | N2 | 6.3° | 0.0° |
| C4 | C5 | N3 | N1 | 175.4° | 179.9° |
| C4 | C5 | N3 | C12 | 179.0° | 180.0° |
| C4 | C5 | N1 | C6 | 7.1° | 0.0° |
| C4 | C5 | N1 | H4 | 172.9° | 180.0° |
| C19 | C20 | C15 | C16 | 0.2° | 0.3° |
| C19 | C20 | C15 | H20 | 180.0° | 180.0° |
| C19 | C20 | C15 | C14 | 177.7° | 180.0° |
| C20 | C19 | C18 | H18 | 179.5° | 179.7° |
| C7 | N2 | C6 | H5 | 180.0° | 180.0° |
| C7 | N2 | C6 | N1 | 2.8° | 0.1° |
| C7 | N2 | C6 | O | 176.2° | 179.9° |
| C5 | N3 | C12 | C13 | 102.1° | 90.0° |
| N3 | C5 | N1 | C6 | 177.5° | 180.0° |
| N3 | C5 | N1 | H4 | 2.4° | 0.1° |
| C5 | N3 | C12 | H10 | 137.5° | 30.1° |
| C5 | N3 | C12 | H11 | 18.3° | 150.0° |
| C12 | N3 | C5 | N1 | 5.6° | 0.1° |
| N3 | C12 | C13 | H10 | 120.4° | 120.1° |
| N3 | C12 | C13 | H11 | 120.4° | 120.0° |
| N3 | C12 | C13 | C14 | 160.0° | 180.0° |
| N3 | C12 | H10 | H11 | 118.7° | 120.0° |
| N3 | C12 | C13 | H12 | 79.6° | 59.9° |
| N3 | C12 | C13 | H13 | 39.5° | 60.0° |
| C16 | C15 | C20 | C14 | 177.5° | 179.7° |
| C16 | C15 | C14 | C13 | 76.5° | 90.2° |
| C16 | C15 | C14 | H15 | 43.7° | 149.7° |
| C16 | C15 | C14 | H14 | 163.3° | 29.7° |
| C16 | C15 | C20 | H20 | 179.9° | 179.8° |
| C15 | C16 | C17 | H17 | 179.3° | 179.7° |
| C5 | N1 | C6 | N2 | 1.0° | 0.0° |
| C5 | N1 | C6 | H4 | 180.0° | 180.0° |
| C5 | N1 | C6 | O | 180.0° | 180.0° |
| C20 | C15 | C14 | C13 | 100.9° | 90.0° |
| C20 | C15 | C14 | H15 | 138.8° | 30.0° |
| C20 | C15 | C14 | H14 | 19.3° | 150.0° |
| C15 | C20 | C19 | H19 | 180.0° | 180.0° |
| C20 | C15 | C16 | H16 | 179.8° | 180.0° |
| C12 | C13 | C14 | C15 | 71.6° | 180.0° |
| C12 | C13 | C14 | H12 | 120.5° | 120.1° |
| C12 | C13 | C14 | H13 | 120.5° | 120.0° |
| C13 | C12 | H10 | H11 | 118.7° | 119.9° |
| C12 | C13 | H12 | H13 | 118.5° | 119.9° |
| C12 | C13 | C14 | H15 | 168.1° | 60.0° |
| C12 | C13 | C14 | H14 | 48.6° | 60.0° |
| C15 | C14 | C13 | H15 | 120.2° | 120.0° |
| C15 | C14 | C13 | H14 | 120.2° | 120.0° |
| C15 | C14 | C13 | H12 | 167.9° | 59.9° |
| C15 | C14 | C13 | H13 | 48.9° | 60.0° |
| C15 | C14 | H15 | H14 | 119.4° | 120.0° |
| C14 | C15 | C20 | H20 | 2.4° | 0.0° |
| C14 | C15 | C16 | H16 | 2.7° | 0.3° |
| N2 | C6 | N1 | O | 179.1° | 180.0° |
| N2 | C6 | N1 | H4 | 179.1° | 180.0° |
| C14 | C13 | C12 | H10 | 39.5° | 59.9° |
| C14 | C13 | C12 | H11 | 79.6° | 60.0° |
| C14 | C13 | H12 | H13 | 118.5° | 120.0° |
| C13 | C14 | H15 | H14 | 119.4° | 119.9° |
| N1 | C6 | N2 | H5 | 177.2° | 180.0° |
| O | C6 | N1 | H4 | 0.0° | 0.0° |
| O | C6 | N2 | H5 | 3.8° | 0.0° |
| H8 | C11 | H7 | H9 | 120.0° | 120.0° |
| H10 | C12 | C13 | H12 | 160.0° | 180.0° |
| H10 | C12 | C13 | H13 | 81.0° | 60.1° |
| H11 | C12 | C13 | H12 | 40.9° | 60.1° |
| H11 | C12 | C13 | H13 | 159.9° | 180.0° |
| H12 | C13 | C14 | H15 | 47.6° | 180.0° |
| H12 | C13 | C14 | H14 | 71.9° | 60.1° |
| H13 | C13 | C14 | H15 | 71.3° | 60.0° |
| H13 | C13 | C14 | H14 | 169.1° | 180.0° |
| H2 | C | H1 | H | 120.0° | 120.0° |
| H20 | C20 | C19 | H19 | 0.0° | 0.0° |
| H19 | C19 | C18 | H18 | 0.5° | 0.2° |
| H18 | C18 | C17 | H17 | 0.9° | 0.2° |
| H17 | C17 | C16 | H16 | 0.7° | 0.2° |
