EGE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| N91 | C09 | sing | 1.39Å | 1.33Å | |
| C23 | N22 | sing | 1.39Å | 1.33Å | |
| C23 | N24 | doub | 1.32Å | 1.34Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C25 | N24 | sing | 1.32Å | 1.40Å | Aromatic |
| N22 | S19 | sing | 1.66Å | 1.63Å | |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| N12 | C13 | sing | 1.37Å | 1.34Å | |
| N12 | N11 | doub | 1.29Å | 1.19Å | |
| C13 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | S19 | sing | 1.76Å | 1.80Å | |
| C18 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| S19 | O20 | doub | 1.42Å | 1.53Å | |
| S19 | O21 | doub | 1.42Å | 1.53Å | |
| C06 | O07 | sing | 1.36Å | 1.36Å | |
| C06 | C04 | doub | 1.41Å | 1.39Å | Aromatic |
| C10 | N11 | sing | 1.36Å | 1.36Å | |
| C10 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
| C04 | C02 | sing | 1.47Å | 1.40Å | |
| O03 | C02 | doub | 1.22Å | 1.25Å | |
| C02 | O01 | sing | 1.35Å | 1.25Å | |
| C05 | H1 | sing | 1.08Å | 1.08Å | |
| C08 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C25 | H7 | sing | 1.08Å | 1.08Å | |
| C26 | H8 | sing | 1.08Å | 1.08Å | |
| C27 | H9 | sing | 1.08Å | 1.08Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| N22 | H11 | sing | 0.97Å | 1.00Å | |
| N91 | H12 | sing | 0.97Å | 1.00Å | |
| N91 | H13 | sing | 0.97Å | 1.00Å | |
| O01 | H14 | sing | 0.97Å | 0.95Å | |
| O07 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 119.3° | 118.5° |
| C27 | C28 | C23 | 120.6° | 119.1° |
| C28 | C27 | H9 | 120.4° | 120.7° |
| C27 | C28 | H10 | 119.7° | 120.4° |
| C27 | C26 | C25 | 119.5° | 119.3° |
| C27 | C26 | H8 | 120.3° | 120.3° |
| C26 | C27 | H9 | 120.3° | 120.8° |
| C28 | C23 | N22 | 118.9° | 119.7° |
| C28 | C23 | N24 | 120.1° | 120.6° |
| C23 | C28 | H10 | 119.7° | 120.5° |
| C26 | C25 | N24 | 120.1° | 120.8° |
| C26 | C25 | H7 | 120.0° | 119.6° |
| C25 | C26 | H8 | 120.3° | 120.3° |
| N91 | C09 | C08 | 118.9° | 119.9° |
| N91 | C09 | C10 | 120.4° | 120.0° |
| C09 | N91 | H12 | 109.5° | 120.1° |
| C09 | N91 | H13 | 109.5° | 120.0° |
| N22 | C23 | N24 | 121.0° | 119.7° |
| C23 | N22 | S19 | 118.8° | 120.0° |
| C23 | N22 | H11 | 107.1° | 120.0° |
| C23 | N24 | C25 | 120.5° | 121.6° |
| C17 | C16 | C13 | 120.6° | 119.8° |
| C16 | C17 | C18 | 120.6° | 120.2° |
| C17 | C16 | H5 | 119.7° | 120.1° |
| C16 | C17 | H6 | 119.7° | 119.9° |
| C16 | C13 | N12 | 119.4° | 120.2° |
| C16 | C13 | C14 | 119.0° | 119.6° |
| C13 | C16 | H5 | 119.7° | 120.1° |
| N24 | C25 | H7 | 120.0° | 119.6° |
| N22 | S19 | C18 | 111.7° | 107.2° |
| N22 | S19 | O20 | 108.5° | 106.4° |
| N22 | S19 | O21 | 110.2° | 106.4° |
| S19 | N22 | H11 | 107.1° | 120.0° |
| C17 | C18 | S19 | 120.7° | 119.9° |
| C17 | C18 | C15 | 118.9° | 120.3° |
| C18 | C17 | H6 | 119.7° | 119.9° |
| C09 | C08 | C06 | 119.1° | 120.2° |
| C08 | C09 | C10 | 120.7° | 120.1° |
| C09 | C08 | H2 | 120.4° | 119.9° |
| C08 | C06 | O07 | 122.1° | 120.0° |
| C08 | C06 | C04 | 121.7° | 120.1° |
| C06 | C08 | H2 | 120.5° | 119.9° |
| C09 | C10 | N11 | 121.6° | 120.1° |
| C09 | C10 | C05 | 118.9° | 119.8° |
| C13 | N12 | N11 | 118.6° | 120.0° |
| N12 | C13 | C14 | 121.6° | 120.2° |
| N12 | N11 | C10 | 121.9° | 120.0° |
| C13 | C14 | C15 | 120.5° | 119.9° |
| C13 | C14 | H3 | 119.8° | 120.0° |
| S19 | C18 | C15 | 120.3° | 119.8° |
| C18 | S19 | O20 | 108.6° | 106.4° |
| C18 | S19 | O21 | 108.5° | 106.4° |
| C18 | C15 | C14 | 120.5° | 120.1° |
| C18 | C15 | H4 | 119.8° | 119.9° |
| O20 | S19 | O21 | 109.3° | 123.1° |
| O07 | C06 | C04 | 116.2° | 119.9° |
| C06 | O07 | H15 | 109.5° | 114.0° |
| C06 | C04 | C05 | 118.9° | 119.9° |
| C06 | C04 | C02 | 118.6° | 120.0° |
| N11 | C10 | C05 | 119.5° | 120.1° |
| C10 | C05 | C04 | 120.8° | 119.8° |
| C10 | C05 | H1 | 119.6° | 120.1° |
| C15 | C14 | H3 | 119.8° | 120.0° |
| C14 | C15 | H4 | 119.8° | 120.0° |
| C05 | C04 | C02 | 122.5° | 120.0° |
| C04 | C05 | H1 | 119.6° | 120.1° |
| C04 | C02 | O03 | 120.0° | 120.0° |
| C04 | C02 | O01 | 121.5° | 120.0° |
| O03 | C02 | O01 | 118.5° | 120.0° |
| C02 | O01 | H14 | 109.5° | 117.0° |
| H12 | N91 | H13 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H9 | 180.0° | 179.9° |
| C27 | C28 | C23 | H10 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.1° | 0.3° |
| C27 | C28 | C23 | N22 | 179.9° | 180.0° |
| C27 | C28 | C23 | N24 | 0.3° | 0.2° |
| C28 | C27 | C26 | H8 | 179.9° | 180.0° |
| C26 | C27 | C28 | C23 | 0.1° | 0.1° |
| C27 | C26 | C25 | H8 | 180.0° | 179.7° |
| C27 | C26 | C25 | N24 | 0.1° | 0.2° |
| C27 | C26 | C25 | H7 | 179.8° | 179.7° |
| C26 | C27 | C28 | H10 | 179.9° | 180.0° |
| C28 | C23 | N22 | N24 | 179.8° | 179.8° |
| C28 | C23 | N24 | C25 | 0.2° | 0.3° |
| C28 | C23 | N22 | S19 | 166.7° | 179.7° |
| C23 | C28 | C27 | H9 | 179.8° | 180.0° |
| C28 | C23 | N22 | H11 | 72.0° | 0.2° |
| C26 | C25 | N24 | C23 | 0.0° | 0.0° |
| C26 | C25 | N24 | H7 | 180.0° | 180.0° |
| C25 | C26 | C27 | H9 | 179.9° | 179.8° |
| N91 | C09 | C08 | C10 | 179.9° | 179.7° |
| N91 | C09 | C08 | C06 | 179.9° | 180.0° |
| N91 | C09 | C10 | N11 | 0.3° | 0.3° |
| N91 | C09 | C10 | C05 | 179.8° | 179.7° |
| N91 | C09 | C08 | H2 | 0.0° | 0.3° |
| C09 | N91 | H12 | H13 | 120.0° | 180.0° |
| N22 | C23 | N24 | C25 | 179.9° | 180.0° |
| C23 | N22 | S19 | H11 | 121.3° | 180.0° |
| C23 | N22 | S19 | C18 | 74.1° | 65.0° |
| C23 | N22 | S19 | O20 | 166.1° | 48.5° |
| C23 | N22 | S19 | O21 | 46.5° | 178.5° |
| N22 | C23 | C28 | H10 | 0.1° | 0.0° |
| N24 | C23 | N22 | S19 | 13.5° | 0.0° |
| C23 | N24 | C25 | H7 | 180.0° | 180.0° |
| N24 | C23 | C28 | H10 | 179.7° | 179.8° |
| N24 | C23 | N22 | H11 | 107.8° | 180.0° |
| C17 | C16 | C13 | H5 | 180.0° | 180.0° |
| C16 | C17 | C18 | H6 | 180.0° | 179.9° |
| C17 | C16 | C13 | N12 | 179.9° | 179.7° |
| C17 | C16 | C13 | C14 | 0.0° | 0.0° |
| C16 | C17 | C18 | S19 | 179.7° | 180.0° |
| C16 | C17 | C18 | C15 | 0.5° | 0.0° |
| C13 | C16 | C17 | C18 | 0.3° | 0.0° |
| C16 | C13 | N12 | C14 | 179.8° | 179.7° |
| C16 | C13 | N12 | N11 | 176.9° | 0.3° |
| C16 | C13 | C14 | C15 | 0.1° | 0.0° |
| C16 | C13 | C14 | H3 | 179.9° | 180.0° |
| C13 | C16 | C17 | H6 | 179.7° | 179.9° |
| N24 | C25 | C26 | H8 | 179.9° | 180.0° |
| N22 | S19 | C18 | C17 | 15.3° | 90.0° |
| N22 | S19 | C18 | O20 | 119.7° | 113.6° |
| N22 | S19 | C18 | O21 | 121.6° | 113.5° |
| N22 | S19 | C18 | C15 | 165.6° | 90.0° |
| N22 | S19 | O20 | O21 | 120.2° | 122.9° |
| C17 | C18 | S19 | C15 | 179.1° | 180.0° |
| C17 | C18 | S19 | O20 | 104.4° | 156.5° |
| C17 | C18 | S19 | O21 | 136.9° | 23.5° |
| C17 | C18 | C15 | C14 | 0.6° | 0.0° |
| C17 | C18 | C15 | H4 | 179.5° | 180.0° |
| C18 | C17 | C16 | H5 | 179.8° | 179.9° |
| C09 | C08 | C06 | H2 | 180.0° | 179.7° |
| C09 | C08 | C06 | O07 | 179.9° | 180.0° |
| C09 | C08 | C06 | C04 | 0.1° | 0.0° |
| C08 | C09 | C10 | N11 | 179.6° | 180.0° |
| C08 | C09 | C10 | C05 | 0.1° | 0.6° |
| C08 | C09 | N91 | H12 | 180.0° | 0.0° |
| C08 | C09 | N91 | H13 | 60.0° | 180.0° |
| C06 | C08 | C09 | C10 | 0.0° | 0.3° |
| C08 | C06 | O07 | C04 | 180.0° | 180.0° |
| C08 | C06 | C04 | C05 | 0.0° | 0.0° |
| C08 | C06 | C04 | C02 | 179.7° | 179.7° |
| C08 | C06 | O07 | H15 | 179.9° | 90.0° |
| C09 | C10 | N11 | N12 | 12.2° | 180.0° |
| C09 | C10 | N11 | C05 | 179.5° | 179.4° |
| C09 | C10 | C05 | C04 | 0.3° | 0.5° |
| C09 | C10 | C05 | H1 | 179.8° | 179.4° |
| C10 | C09 | C08 | H2 | 180.0° | 180.0° |
| C10 | C09 | N91 | H12 | 0.1° | 179.7° |
| C10 | C09 | N91 | H13 | 119.9° | 0.2° |
| C13 | N12 | N11 | C10 | 179.6° | 180.0° |
| N12 | C13 | C14 | C15 | 179.9° | 179.7° |
| N12 | C13 | C14 | H3 | 0.1° | 0.3° |
| N12 | C13 | C16 | H5 | 0.2° | 0.3° |
| N11 | N12 | C13 | C14 | 2.9° | 180.0° |
| N12 | N11 | C10 | C05 | 168.3° | 0.6° |
| C13 | C14 | C15 | C18 | 0.4° | 0.0° |
| C13 | C14 | C15 | H3 | 180.0° | 180.0° |
| C13 | C14 | C15 | H4 | 179.7° | 180.0° |
| C14 | C13 | C16 | H5 | 180.0° | 179.9° |
| C18 | S19 | O20 | O21 | 118.2° | 123.0° |
| S19 | C18 | C15 | C14 | 179.7° | 180.0° |
| S19 | C18 | C15 | H4 | 0.3° | 0.0° |
| S19 | C18 | C17 | H6 | 0.3° | 0.1° |
| C18 | S19 | N22 | H11 | 164.5° | 115.0° |
| C15 | C18 | S19 | O20 | 74.7° | 23.6° |
| C15 | C18 | S19 | O21 | 44.0° | 156.5° |
| C18 | C15 | C14 | H4 | 180.0° | 180.0° |
| C18 | C15 | C14 | H3 | 179.7° | 180.0° |
| C15 | C18 | C17 | H6 | 179.4° | 179.9° |
| O20 | S19 | N22 | H11 | 44.8° | 131.4° |
| O21 | S19 | N22 | H11 | 74.8° | 1.5° |
| O07 | C06 | C04 | C05 | 180.0° | 180.0° |
| O07 | C06 | C04 | C02 | 0.4° | 0.3° |
| O07 | C06 | C08 | H2 | 0.1° | 0.3° |
| C06 | C04 | C05 | C10 | 0.2° | 0.2° |
| C06 | C04 | C05 | C02 | 179.6° | 179.7° |
| C06 | C04 | C02 | O03 | 1.1° | 0.6° |
| C06 | C04 | C02 | O01 | 177.8° | 179.8° |
| C06 | C04 | C05 | H1 | 179.8° | 179.7° |
| C04 | C06 | C08 | H2 | 179.9° | 179.7° |
| C04 | C06 | O07 | H15 | 0.1° | 90.1° |
| N11 | C10 | C05 | C04 | 179.8° | 180.0° |
| N11 | C10 | C05 | H1 | 0.3° | 0.0° |
| C10 | C05 | C04 | H1 | 180.0° | 180.0° |
| C10 | C05 | C04 | C02 | 179.8° | 180.0° |
| C05 | C04 | C02 | O03 | 179.3° | 179.7° |
| C05 | C04 | C02 | O01 | 1.8° | 0.0° |
| C04 | C02 | O03 | O01 | 178.8° | 179.6° |
| C02 | C04 | C05 | H1 | 0.2° | 0.0° |
| C04 | C02 | O01 | H14 | 178.8° | 180.0° |
| O03 | C02 | O01 | H14 | 0.0° | 0.4° |
| H3 | C14 | C15 | H4 | 0.3° | 0.0° |
| H5 | C16 | C17 | H6 | 0.3° | 0.0° |
| H7 | C25 | C26 | H8 | 0.1° | 0.0° |
| H8 | C26 | C27 | H9 | 0.0° | 0.0° |
| H9 | C27 | C28 | H10 | 0.2° | 0.0° |
