E2G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| O2 | C1 | doub | 1.21Å | 1.23Å | |
| C21 | N8 | sing | 1.40Å | 1.44Å | |
| C21 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | CA | sing | 1.51Å | 1.53Å | |
| C1 | N5 | sing | 1.35Å | 1.34Å | |
| C17 | N5 | sing | 1.46Å | 1.44Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| CA | N | sing | 1.47Å | 1.44Å | |
| N8 | C18 | sing | 1.36Å | 1.36Å | Aromatic |
| N8 | C19 | sing | 1.36Å | 1.37Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C18 | N6 | doub | 1.31Å | 1.31Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.48Å | |
| C19 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| N6 | N7 | sing | 1.29Å | 1.39Å | Aromatic |
| C27 | N9 | sing | 1.47Å | 1.45Å | |
| N9 | C28 | sing | 1.35Å | 1.34Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C28 | O6 | doub | 1.21Å | 1.24Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C29 | H3 | sing | 1.09Å | 1.10Å | |
| C29 | H4 | sing | 1.09Å | 1.10Å | |
| C29 | H5 | sing | 1.09Å | 1.10Å | |
| N | H6 | sing | 1.01Å | 1.00Å | |
| N | H7 | sing | 1.01Å | 1.00Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| N9 | H18 | sing | 0.97Å | 1.00Å | |
| N5 | H19 | sing | 0.97Å | 1.00Å | |
| CA | H20 | sing | 1.09Å | 1.10Å | |
| CA | OXT | sing | 1.43Å | 2.43Å | |
| OXT | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | C24 | 120.6° | 120.0° |
| C23 | C22 | C21 | 118.9° | 119.9° |
| C23 | C22 | H12 | 120.5° | 120.0° |
| C22 | C23 | H13 | 119.7° | 120.0° |
| C23 | C24 | C25 | 120.4° | 120.2° |
| C24 | C23 | H13 | 119.7° | 120.0° |
| C23 | C24 | H14 | 119.8° | 119.9° |
| C22 | C21 | N8 | 118.1° | 120.1° |
| C22 | C21 | C26 | 121.3° | 119.9° |
| C21 | C22 | H12 | 120.5° | 120.1° |
| C24 | C25 | C26 | 120.6° | 120.1° |
| C25 | C24 | H14 | 119.8° | 119.9° |
| C24 | C25 | H15 | 119.7° | 120.0° |
| O2 | C1 | CA | 120.5° | 120.0° |
| O2 | C1 | N5 | 122.8° | 120.0° |
| N8 | C21 | C26 | 120.6° | 120.1° |
| C21 | N8 | C18 | 127.0° | 127.1° |
| C21 | N8 | C19 | 127.5° | 127.1° |
| C21 | C26 | C25 | 118.1° | 119.9° |
| C21 | C26 | C27 | 120.7° | 120.0° |
| C25 | C26 | C27 | 121.1° | 120.0° |
| C26 | C25 | H15 | 119.7° | 120.0° |
| CA | C1 | N5 | 116.6° | 120.0° |
| C1 | CA | N | 113.8° | 109.5° |
| C1 | CA | H20 | 121.0° | 109.5° |
| C1 | CA | OXT | 114.0° | 109.5° |
| C1 | N5 | C17 | 121.6° | 120.0° |
| C1 | N5 | H19 | 119.2° | 119.9° |
| N5 | C17 | C18 | 113.4° | 109.5° |
| N5 | C17 | H1 | 108.5° | 109.5° |
| N5 | C17 | H2 | 108.5° | 109.5° |
| C17 | N5 | H19 | 119.2° | 120.0° |
| C17 | C18 | N8 | 123.8° | 126.3° |
| C17 | C18 | N6 | 126.1° | 126.4° |
| C18 | C17 | H1 | 108.5° | 109.5° |
| C18 | C17 | H2 | 108.5° | 109.5° |
| CA | N | H6 | 109.5° | 111.0° |
| CA | N | H7 | 109.5° | 111.0° |
| N | CA | H20 | 123.1° | 109.4° |
| N | CA | OXT | 28.2° | 109.5° |
| C18 | N8 | C19 | 105.5° | 105.8° |
| N8 | C18 | N6 | 110.0° | 107.3° |
| N8 | C19 | C20 | 123.8° | 126.4° |
| N8 | C19 | N7 | 109.4° | 107.2° |
| C26 | C27 | N9 | 112.4° | 109.5° |
| C26 | C27 | H16 | 108.7° | 109.5° |
| C26 | C27 | H17 | 108.7° | 109.5° |
| C18 | N6 | N7 | 107.1° | 109.8° |
| C20 | C19 | N7 | 126.7° | 126.5° |
| C19 | C20 | H9 | 109.5° | 109.5° |
| C19 | C20 | H10 | 109.5° | 109.5° |
| C19 | C20 | H11 | 109.4° | 109.4° |
| C19 | N7 | N6 | 108.0° | 110.0° |
| C27 | N9 | C28 | 125.2° | 120.0° |
| N9 | C27 | H16 | 108.7° | 109.5° |
| N9 | C27 | H17 | 108.7° | 109.5° |
| C27 | N9 | H18 | 117.4° | 120.0° |
| N9 | C28 | C29 | 116.1° | 120.0° |
| N9 | C28 | O6 | 121.7° | 120.1° |
| C28 | N9 | H18 | 117.4° | 120.0° |
| C29 | C28 | O6 | 122.2° | 119.9° |
| C28 | C29 | H3 | 109.5° | 109.5° |
| C28 | C29 | H4 | 109.5° | 109.5° |
| C28 | C29 | H5 | 109.5° | 109.5° |
| H1 | C17 | H2 | 109.4° | 109.5° |
| H3 | C29 | H4 | 109.4° | 109.5° |
| H3 | C29 | H5 | 109.5° | 109.5° |
| H4 | C29 | H5 | 109.5° | 109.4° |
| H6 | N | H7 | 109.5° | 111.0° |
| H9 | C20 | H10 | 109.4° | 109.6° |
| H9 | C20 | H11 | 109.5° | 109.4° |
| H10 | C20 | H11 | 109.5° | 109.5° |
| H16 | C27 | H17 | 109.4° | 109.5° |
| H20 | CA | OXT | 108.9° | 109.4° |
| CA | OXT | H8 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | C24 | H13 | 180.0° | 180.0° |
| C23 | C22 | C21 | H12 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.3° | 0.0° |
| C23 | C22 | C21 | N8 | 179.4° | 180.0° |
| C23 | C22 | C21 | C26 | 0.3° | 0.2° |
| C22 | C23 | C24 | H14 | 179.8° | 179.9° |
| C24 | C23 | C22 | C21 | 0.3° | 0.0° |
| C23 | C24 | C25 | H14 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.3° | 0.4° |
| C24 | C23 | C22 | H12 | 179.7° | 180.0° |
| C23 | C24 | C25 | H15 | 179.7° | 179.9° |
| C22 | C21 | N8 | C26 | 179.1° | 179.8° |
| C22 | C21 | C26 | C25 | 0.3° | 0.5° |
| C22 | C21 | N8 | C18 | 75.4° | 90.2° |
| C22 | C21 | N8 | C19 | 106.1° | 89.7° |
| C22 | C21 | C26 | C27 | 177.8° | 179.7° |
| C21 | C22 | C23 | H13 | 179.8° | 180.0° |
| C24 | C25 | C26 | C21 | 0.3° | 0.6° |
| C24 | C25 | C26 | H15 | 180.0° | 179.7° |
| C24 | C25 | C26 | C27 | 177.8° | 179.6° |
| C25 | C24 | C23 | H13 | 179.8° | 180.0° |
| O2 | C1 | CA | N5 | 176.0° | 179.9° |
| O2 | C1 | N5 | C17 | 12.0° | 0.1° |
| O2 | C1 | CA | N | 177.0° | 110.0° |
| O2 | C1 | N5 | H19 | 168.1° | 180.0° |
| O2 | C1 | CA | H20 | 13.2° | 130.0° |
| O2 | C1 | CA | OXT | 146.2° | 10.1° |
| N8 | C21 | C26 | C25 | 179.4° | 179.7° |
| C21 | N8 | C18 | C17 | 5.3° | 0.0° |
| C21 | N8 | C18 | C19 | 178.7° | 180.0° |
| N8 | C21 | C26 | C27 | 1.2° | 0.1° |
| C21 | N8 | C18 | N6 | 177.3° | 179.7° |
| C21 | N8 | C19 | C20 | 4.2° | 0.2° |
| C21 | N8 | C19 | N7 | 178.1° | 179.8° |
| N8 | C21 | C22 | H12 | 0.6° | 0.0° |
| C21 | C26 | C25 | C27 | 178.1° | 179.7° |
| C26 | C21 | N8 | C18 | 103.7° | 90.0° |
| C26 | C21 | N8 | C19 | 74.8° | 90.0° |
| C21 | C26 | C27 | N9 | 62.5° | 80.0° |
| C26 | C21 | C22 | H12 | 179.7° | 179.8° |
| C21 | C26 | C25 | H15 | 179.7° | 179.7° |
| C21 | C26 | C27 | H16 | 177.1° | 160.0° |
| C21 | C26 | C27 | H17 | 58.0° | 40.0° |
| C25 | C26 | C27 | N9 | 115.6° | 99.7° |
| C26 | C25 | C24 | H14 | 179.7° | 179.7° |
| C25 | C26 | C27 | H16 | 4.8° | 20.3° |
| C25 | C26 | C27 | H17 | 123.9° | 140.3° |
| CA | C1 | N5 | C17 | 172.2° | 180.0° |
| C1 | CA | N | H20 | 163.4° | 120.0° |
| C1 | CA | N | OXT | 96.9° | 120.1° |
| C1 | CA | N | H6 | 180.0° | 176.0° |
| C1 | CA | N | H7 | 60.0° | 60.0° |
| CA | C1 | N5 | H19 | 7.8° | 0.1° |
| C1 | CA | H20 | OXT | 135.0° | 120.0° |
| C1 | CA | OXT | H8 | 180.0° | 180.0° |
| C1 | N5 | C17 | H19 | 180.0° | 180.0° |
| C1 | N5 | C17 | C18 | 77.5° | 180.0° |
| N5 | C1 | CA | N | 7.0° | 69.9° |
| C1 | N5 | C17 | H1 | 161.9° | 60.0° |
| C1 | N5 | C17 | H2 | 43.1° | 60.0° |
| N5 | C1 | CA | H20 | 170.8° | 50.1° |
| N5 | C1 | CA | OXT | 37.8° | 170.0° |
| N5 | C17 | C18 | H1 | 120.6° | 120.0° |
| N5 | C17 | C18 | H2 | 120.6° | 120.0° |
| N5 | C17 | C18 | N8 | 179.8° | 89.7° |
| N5 | C17 | C18 | N6 | 3.2° | 89.9° |
| N5 | C17 | H1 | H2 | 118.2° | 120.0° |
| C17 | C18 | N8 | N6 | 177.4° | 179.7° |
| C17 | C18 | N8 | C19 | 175.9° | 179.9° |
| C17 | C18 | N6 | N7 | 175.6° | 180.0° |
| C18 | C17 | H1 | H2 | 118.2° | 120.0° |
| C18 | C17 | N5 | H19 | 102.5° | 0.0° |
| CA | N | H6 | H7 | 120.0° | 124.0° |
| N | CA | H20 | OXT | 27.2° | 119.9° |
| N | CA | OXT | H8 | 84.1° | 59.9° |
| C18 | N8 | C19 | C20 | 177.1° | 179.8° |
| C18 | N8 | C19 | N7 | 0.6° | 0.1° |
| N8 | C18 | N6 | N7 | 1.8° | 0.3° |
| N8 | C18 | C17 | H1 | 59.2° | 30.3° |
| N8 | C18 | C17 | H2 | 59.6° | 150.3° |
| C19 | N8 | C18 | N6 | 1.5° | 0.2° |
| N8 | C19 | C20 | N7 | 177.3° | 179.9° |
| N8 | C19 | N7 | N6 | 0.4° | 0.0° |
| N8 | C19 | C20 | H9 | 177.3° | 90.1° |
| N8 | C19 | C20 | H10 | 62.7° | 30.0° |
| N8 | C19 | C20 | H11 | 57.2° | 150.0° |
| C26 | C27 | N9 | H16 | 120.5° | 120.0° |
| C26 | C27 | N9 | H17 | 120.5° | 120.0° |
| C26 | C27 | N9 | C28 | 127.2° | 180.0° |
| C27 | C26 | C25 | H15 | 2.2° | 0.1° |
| C26 | C27 | H16 | H17 | 118.7° | 120.0° |
| C26 | C27 | N9 | H18 | 52.8° | 0.1° |
| C18 | N6 | N7 | C19 | 1.4° | 0.2° |
| N6 | C18 | C17 | H1 | 123.8° | 150.0° |
| N6 | C18 | C17 | H2 | 117.4° | 30.1° |
| C20 | C19 | N7 | N6 | 178.0° | 180.0° |
| C19 | C20 | H9 | H10 | 120.0° | 120.0° |
| C19 | C20 | H9 | H11 | 120.0° | 119.9° |
| C19 | C20 | H10 | H11 | 120.0° | 119.9° |
| N7 | C19 | C20 | H9 | 0.0° | 89.9° |
| N7 | C19 | C20 | H10 | 120.0° | 150.0° |
| N7 | C19 | C20 | H11 | 120.0° | 30.0° |
| C27 | N9 | C28 | H18 | 180.0° | 179.9° |
| C27 | N9 | C28 | C29 | 174.2° | 180.0° |
| C27 | N9 | C28 | O6 | 6.2° | 0.0° |
| N9 | C27 | H16 | H17 | 118.6° | 120.0° |
| N9 | C28 | C29 | O6 | 179.6° | 180.0° |
| N9 | C28 | C29 | H3 | 179.6° | 90.0° |
| N9 | C28 | C29 | H4 | 60.4° | 30.0° |
| N9 | C28 | C29 | H5 | 59.6° | 150.0° |
| C28 | N9 | C27 | H16 | 112.4° | 60.0° |
| C28 | N9 | C27 | H17 | 6.7° | 60.0° |
| C28 | C29 | H3 | H4 | 120.0° | 120.0° |
| C28 | C29 | H3 | H5 | 120.0° | 120.0° |
| C28 | C29 | H4 | H5 | 120.0° | 120.0° |
| C29 | C28 | N9 | H18 | 5.8° | 0.1° |
| O6 | C28 | C29 | H3 | 0.0° | 90.0° |
| O6 | C28 | C29 | H4 | 120.0° | 150.0° |
| O6 | C28 | C29 | H5 | 120.0° | 30.0° |
| O6 | C28 | N9 | H18 | 173.8° | 180.0° |
| H1 | C17 | N5 | H19 | 18.1° | 120.0° |
| H2 | C17 | N5 | H19 | 136.9° | 120.0° |
| H3 | C29 | H4 | H5 | 120.0° | 120.0° |
| H6 | N | CA | H20 | 16.6° | 56.0° |
| H6 | N | CA | OXT | 83.2° | 63.9° |
| H7 | N | CA | H20 | 103.4° | 180.0° |
| H7 | N | CA | OXT | 36.9° | 60.0° |
| H9 | C20 | H10 | H11 | 120.0° | 120.0° |
| H12 | C22 | C23 | H13 | 0.3° | 0.0° |
| H13 | C23 | C24 | H14 | 0.2° | 0.1° |
| H14 | C24 | C25 | H15 | 0.3° | 0.0° |
| H16 | C27 | N9 | H18 | 67.6° | 120.1° |
| H17 | C27 | N9 | H18 | 173.3° | 119.9° |
| H20 | CA | OXT | H8 | 41.5° | 60.0° |
