EAQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N25 | N26 | sing | 1.40Å | 1.34Å | Aromatic |
| N25 | C24 | sing | 1.35Å | 1.31Å | Aromatic |
| N26 | C27 | doub | 1.31Å | 1.28Å | Aromatic |
| C24 | C11 | doub | 1.36Å | 1.35Å | Aromatic |
| C27 | C11 | sing | 1.41Å | 1.47Å | Aromatic |
| C11 | C4 | sing | 1.49Å | 1.49Å | |
| C4 | C3 | doub | 1.36Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.48Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| C3 | N2 | sing | 1.36Å | 1.33Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.33Å | Aromatic |
| C15 | N16 | doub | 1.32Å | 1.34Å | Aromatic |
| C15 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| N2 | C9 | sing | 1.37Å | 1.33Å | Aromatic |
| N2 | C1 | sing | 1.37Å | 1.31Å | Aromatic |
| N16 | C17 | sing | 1.32Å | 1.36Å | Aromatic |
| C9 | C8 | doub | 1.36Å | 1.37Å | Aromatic |
| C6 | C1 | sing | 1.41Å | 1.46Å | Aromatic |
| O14 | C12 | doub | 1.22Å | 1.21Å | |
| C1 | N7 | doub | 1.33Å | 1.25Å | Aromatic |
| C8 | N7 | sing | 1.34Å | 1.43Å | Aromatic |
| C8 | N10 | sing | 1.40Å | 1.35Å | |
| C12 | N10 | sing | 1.35Å | 1.35Å | |
| C12 | C13 | sing | 1.48Å | 1.51Å | |
| C13 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | C20 | sing | 1.51Å | 1.55Å | |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C22 | sing | 1.53Å | 1.56Å | |
| C20 | C23 | sing | 1.53Å | 1.56Å | |
| C19 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C18 | H3 | sing | 1.08Å | 1.08Å | |
| C19 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å | |
| C5 | H16 | sing | 1.08Å | 1.08Å | |
| C6 | H17 | sing | 1.08Å | 1.08Å | |
| C9 | H19 | sing | 1.08Å | 1.08Å | |
| N10 | H20 | sing | 0.97Å | 1.00Å | |
| N25 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N26 | N25 | C24 | 109.1° | 108.2° |
| N25 | N26 | C27 | 110.8° | 108.6° |
| N26 | N25 | H21 | 125.5° | 126.0° |
| N25 | C24 | C11 | 109.7° | 107.6° |
| N25 | C24 | H14 | 125.2° | 126.2° |
| C24 | N25 | H21 | 125.5° | 125.9° |
| N26 | C27 | C11 | 106.4° | 108.1° |
| N26 | C27 | H15 | 126.8° | 126.0° |
| C24 | C11 | C27 | 104.0° | 107.6° |
| C24 | C11 | C4 | 126.6° | 126.2° |
| C11 | C24 | H14 | 125.2° | 126.2° |
| C27 | C11 | C4 | 129.3° | 126.2° |
| C11 | C27 | H15 | 126.8° | 125.9° |
| C11 | C4 | C3 | 123.7° | 120.0° |
| C11 | C4 | C5 | 118.6° | 119.9° |
| C3 | C4 | C5 | 117.7° | 120.0° |
| C4 | C3 | N2 | 120.9° | 120.5° |
| C4 | C3 | H1 | 119.5° | 119.7° |
| C4 | C5 | C6 | 120.5° | 119.6° |
| C4 | C5 | H16 | 119.7° | 120.2° |
| C21 | C20 | C17 | 109.7° | 109.4° |
| C21 | C20 | C22 | 108.2° | 109.5° |
| C21 | C20 | C23 | 110.5° | 109.4° |
| C20 | C21 | H5 | 109.5° | 109.5° |
| C20 | C21 | H6 | 109.4° | 109.4° |
| C20 | C21 | H7 | 109.5° | 109.5° |
| C3 | N2 | C9 | 128.8° | 132.3° |
| C3 | N2 | C1 | 122.6° | 120.6° |
| N2 | C3 | H1 | 119.5° | 119.8° |
| C5 | C6 | C1 | 116.4° | 119.5° |
| C6 | C5 | H16 | 119.7° | 120.2° |
| C5 | C6 | H17 | 121.8° | 120.2° |
| N16 | C15 | C13 | 120.6° | 120.6° |
| C15 | N16 | C17 | 122.6° | 121.8° |
| N16 | C15 | H2 | 119.7° | 119.7° |
| C15 | C13 | C12 | 119.6° | 120.5° |
| C15 | C13 | C19 | 118.5° | 118.9° |
| C13 | C15 | H2 | 119.7° | 119.7° |
| C9 | N2 | C1 | 108.4° | 107.1° |
| N2 | C9 | C8 | 108.5° | 107.1° |
| N2 | C9 | H19 | 125.8° | 126.5° |
| N2 | C1 | C6 | 121.7° | 119.8° |
| N2 | C1 | N7 | 111.3° | 108.1° |
| N16 | C17 | C20 | 117.4° | 119.4° |
| N16 | C17 | C18 | 119.1° | 121.1° |
| C9 | C8 | N7 | 102.9° | 108.4° |
| C9 | C8 | N10 | 135.2° | 125.8° |
| C8 | C9 | H19 | 125.7° | 126.4° |
| C6 | C1 | N7 | 126.9° | 132.1° |
| C1 | C6 | H17 | 121.8° | 120.3° |
| O14 | C12 | N10 | 121.5° | 119.9° |
| O14 | C12 | C13 | 117.5° | 120.0° |
| C1 | N7 | C8 | 108.8° | 109.2° |
| N7 | C8 | N10 | 121.9° | 125.8° |
| C8 | N10 | C12 | 125.5° | 120.1° |
| C8 | N10 | H20 | 117.2° | 120.0° |
| N10 | C12 | C13 | 121.0° | 120.0° |
| C12 | N10 | H20 | 117.2° | 120.0° |
| C12 | C13 | C19 | 121.8° | 120.6° |
| C13 | C19 | C18 | 119.5° | 118.3° |
| C13 | C19 | H4 | 120.2° | 120.8° |
| C20 | C17 | C18 | 123.6° | 119.5° |
| C17 | C20 | C22 | 109.1° | 109.4° |
| C17 | C20 | C23 | 111.3° | 109.5° |
| C17 | C18 | C19 | 119.6° | 119.3° |
| C17 | C18 | H3 | 120.2° | 120.4° |
| C22 | C20 | C23 | 107.9° | 109.5° |
| C20 | C22 | H8 | 109.5° | 109.5° |
| C20 | C22 | H9 | 109.4° | 109.5° |
| C20 | C22 | H10 | 109.5° | 109.5° |
| C20 | C23 | H11 | 109.5° | 109.5° |
| C20 | C23 | H12 | 109.4° | 109.4° |
| C20 | C23 | H13 | 109.4° | 109.5° |
| C19 | C18 | H3 | 120.2° | 120.3° |
| C18 | C19 | H4 | 120.2° | 120.9° |
| H5 | C21 | H6 | 109.5° | 109.4° |
| H5 | C21 | H7 | 109.4° | 109.4° |
| H6 | C21 | H7 | 109.4° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H8 | C22 | H10 | 109.4° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H11 | C23 | H12 | 109.5° | 109.5° |
| H11 | C23 | H13 | 109.5° | 109.5° |
| H12 | C23 | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N26 | N25 | C24 | H21 | 180.0° | 180.0° |
| N26 | N25 | C24 | C11 | 0.3° | 0.1° |
| N25 | N26 | C27 | C11 | 0.1° | 0.1° |
| N26 | N25 | C24 | H14 | 179.7° | 179.9° |
| N25 | N26 | C27 | H15 | 179.9° | 179.8° |
| C24 | N25 | N26 | C27 | 0.1° | 0.0° |
| N25 | C24 | C11 | H14 | 180.0° | 180.0° |
| N25 | C24 | C11 | C27 | 0.4° | 0.2° |
| N25 | C24 | C11 | C4 | 177.8° | 180.0° |
| N26 | C27 | C11 | C24 | 0.3° | 0.2° |
| N26 | C27 | C11 | H15 | 180.0° | 179.9° |
| N26 | C27 | C11 | C4 | 177.8° | 180.0° |
| C27 | N26 | N25 | H21 | 179.9° | 180.0° |
| C24 | C11 | C27 | C4 | 178.1° | 179.8° |
| C24 | C11 | C4 | C3 | 160.3° | 115.0° |
| C24 | C11 | C4 | C5 | 17.5° | 64.8° |
| C24 | C11 | C27 | H15 | 179.7° | 179.7° |
| C11 | C24 | N25 | H21 | 179.7° | 179.8° |
| C27 | C11 | C4 | C3 | 17.5° | 65.3° |
| C27 | C11 | C4 | C5 | 164.8° | 114.9° |
| C27 | C11 | C24 | H14 | 179.6° | 179.8° |
| C11 | C4 | C3 | C5 | 177.8° | 179.8° |
| C11 | C4 | C3 | N2 | 176.9° | 180.0° |
| C11 | C4 | C5 | C6 | 176.5° | 180.0° |
| C11 | C4 | C3 | H1 | 3.1° | 0.0° |
| C4 | C11 | C24 | H14 | 2.2° | 0.0° |
| C4 | C11 | C27 | H15 | 2.2° | 0.1° |
| C11 | C4 | C5 | H16 | 3.4° | 0.0° |
| C4 | C3 | N2 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.3° | 0.1° |
| C4 | C3 | N2 | C9 | 176.1° | 180.0° |
| C4 | C3 | N2 | C1 | 1.5° | 0.0° |
| C3 | C4 | C5 | H16 | 178.7° | 179.8° |
| C5 | C4 | C3 | N2 | 0.9° | 0.2° |
| C4 | C5 | C6 | H16 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.4° | 0.1° |
| C5 | C4 | C3 | H1 | 179.1° | 179.9° |
| C4 | C5 | C6 | H17 | 179.6° | 179.9° |
| C21 | C20 | C17 | N16 | 68.4° | 134.7° |
| C21 | C20 | C17 | C22 | 118.4° | 120.0° |
| C21 | C20 | C17 | C23 | 122.6° | 119.9° |
| C21 | C20 | C17 | C18 | 111.6° | 45.0° |
| C21 | C20 | C22 | C23 | 119.6° | 120.0° |
| C20 | C21 | H5 | H6 | 120.0° | 120.0° |
| C20 | C21 | H5 | H7 | 120.0° | 120.1° |
| C20 | C21 | H6 | H7 | 120.0° | 120.1° |
| C21 | C20 | C22 | H8 | 180.0° | 180.0° |
| C21 | C20 | C22 | H9 | 60.0° | 60.0° |
| C21 | C20 | C22 | H10 | 60.0° | 60.0° |
| C21 | C20 | C23 | H11 | 180.0° | 59.9° |
| C21 | C20 | C23 | H12 | 60.0° | 60.1° |
| C21 | C20 | C23 | H13 | 60.0° | 180.0° |
| C3 | N2 | C9 | C1 | 175.2° | 180.0° |
| C3 | N2 | C9 | C8 | 177.5° | 180.0° |
| C3 | N2 | C1 | C6 | 3.4° | 0.2° |
| C3 | N2 | C1 | N7 | 177.4° | 180.0° |
| C3 | N2 | C9 | H19 | 2.5° | 0.0° |
| C5 | C6 | C1 | N2 | 2.8° | 0.3° |
| C5 | C6 | C1 | H17 | 180.0° | 180.0° |
| C5 | C6 | C1 | N7 | 178.2° | 180.0° |
| N16 | C15 | C13 | H2 | 180.0° | 179.9° |
| N16 | C15 | C13 | C12 | 178.8° | 180.0° |
| N16 | C15 | C13 | C19 | 1.6° | 0.2° |
| C15 | N16 | C17 | C20 | 180.0° | 180.0° |
| C15 | N16 | C17 | C18 | 0.0° | 0.3° |
| C13 | C15 | N16 | C17 | 0.8° | 0.0° |
| C15 | C13 | C12 | O14 | 30.6° | 179.7° |
| C15 | C13 | C12 | N10 | 147.5° | 0.2° |
| C15 | C13 | C12 | C19 | 177.2° | 179.8° |
| C15 | C13 | C19 | C18 | 1.5° | 0.2° |
| C15 | C13 | C19 | H4 | 178.5° | 179.8° |
| N2 | C9 | C8 | H19 | 180.0° | 180.0° |
| C9 | N2 | C1 | C6 | 179.0° | 179.8° |
| C9 | N2 | C1 | N7 | 1.8° | 0.0° |
| N2 | C9 | C8 | N7 | 1.8° | 0.0° |
| N2 | C9 | C8 | N10 | 178.7° | 180.0° |
| C9 | N2 | C3 | H1 | 3.9° | 0.1° |
| C1 | N2 | C9 | C8 | 2.2° | 0.0° |
| N2 | C1 | C6 | N7 | 179.0° | 179.7° |
| N2 | C1 | N7 | C8 | 0.7° | 0.0° |
| C1 | N2 | C3 | H1 | 178.5° | 179.9° |
| N2 | C1 | C6 | H17 | 177.2° | 179.7° |
| C1 | N2 | C9 | H19 | 177.7° | 180.0° |
| N16 | C17 | C20 | C18 | 180.0° | 179.7° |
| N16 | C17 | C20 | C22 | 49.9° | 105.3° |
| N16 | C17 | C20 | C23 | 169.0° | 14.8° |
| N16 | C17 | C18 | C19 | 0.0° | 0.3° |
| C17 | N16 | C15 | H2 | 179.2° | 180.0° |
| N16 | C17 | C18 | H3 | 180.0° | 179.8° |
| C9 | C8 | N7 | C1 | 0.7° | 0.0° |
| C9 | C8 | N7 | N10 | 177.5° | 180.0° |
| C9 | C8 | N10 | C12 | 1.8° | 0.1° |
| C9 | C8 | N10 | H20 | 178.2° | 180.0° |
| C6 | C1 | N7 | C8 | 179.8° | 179.7° |
| C1 | C6 | C5 | H16 | 179.6° | 180.0° |
| O14 | C12 | N10 | C8 | 1.6° | 0.0° |
| O14 | C12 | N10 | C13 | 178.1° | 180.0° |
| O14 | C12 | C13 | C19 | 152.2° | 0.0° |
| O14 | C12 | N10 | H20 | 178.4° | 180.0° |
| C1 | N7 | C8 | N10 | 178.2° | 180.0° |
| N7 | C1 | C6 | H17 | 1.8° | 0.0° |
| N7 | C8 | N10 | C12 | 174.7° | 180.0° |
| N7 | C8 | C9 | H19 | 178.2° | 180.0° |
| N7 | C8 | N10 | H20 | 5.3° | 0.1° |
| C8 | N10 | C12 | H20 | 180.0° | 179.9° |
| C8 | N10 | C12 | C13 | 176.5° | 180.0° |
| N10 | C8 | C9 | H19 | 1.2° | 0.0° |
| N10 | C12 | C13 | C19 | 29.7° | 180.0° |
| C12 | C13 | C19 | C18 | 178.7° | 180.0° |
| C12 | C13 | C15 | H2 | 1.2° | 0.1° |
| C12 | C13 | C19 | H4 | 1.3° | 0.0° |
| C13 | C12 | N10 | H20 | 3.6° | 0.1° |
| C13 | C19 | C18 | C17 | 0.8° | 0.1° |
| C13 | C19 | C18 | H4 | 180.0° | 180.0° |
| C19 | C13 | C15 | H2 | 178.5° | 179.7° |
| C13 | C19 | C18 | H3 | 179.2° | 180.0° |
| C17 | C20 | C22 | C23 | 121.1° | 120.0° |
| C20 | C17 | C18 | C19 | 180.0° | 180.0° |
| C20 | C17 | C18 | H3 | 0.0° | 0.1° |
| C17 | C20 | C21 | H5 | 180.0° | 60.0° |
| C17 | C20 | C21 | H6 | 60.0° | 180.0° |
| C17 | C20 | C21 | H7 | 60.0° | 60.0° |
| C17 | C20 | C22 | H8 | 60.6° | 60.1° |
| C17 | C20 | C22 | H9 | 179.3° | 180.0° |
| C17 | C20 | C22 | H10 | 59.3° | 60.0° |
| C17 | C20 | C23 | H11 | 57.8° | 60.0° |
| C17 | C20 | C23 | H12 | 62.2° | 180.0° |
| C17 | C20 | C23 | H13 | 177.8° | 60.1° |
| C18 | C17 | C20 | C22 | 130.1° | 75.0° |
| C18 | C17 | C20 | C23 | 11.0° | 164.9° |
| C17 | C18 | C19 | H3 | 180.0° | 179.9° |
| C17 | C18 | C19 | H4 | 179.3° | 180.0° |
| C22 | C20 | C21 | H5 | 61.0° | 60.0° |
| C22 | C20 | C21 | H6 | 178.9° | 60.0° |
| C22 | C20 | C21 | H7 | 59.0° | 180.0° |
| C20 | C22 | H8 | H9 | 120.0° | 120.0° |
| C20 | C22 | H8 | H10 | 120.0° | 120.0° |
| C20 | C22 | H9 | H10 | 120.0° | 120.0° |
| C22 | C20 | C23 | H11 | 61.9° | 180.0° |
| C22 | C20 | C23 | H12 | 178.1° | 60.0° |
| C22 | C20 | C23 | H13 | 58.1° | 59.9° |
| C23 | C20 | C21 | H5 | 56.9° | 180.0° |
| C23 | C20 | C21 | H6 | 63.1° | 60.1° |
| C23 | C20 | C21 | H7 | 176.9° | 60.0° |
| C23 | C20 | C22 | H8 | 60.5° | 60.0° |
| C23 | C20 | C22 | H9 | 59.6° | 60.0° |
| C23 | C20 | C22 | H10 | 179.6° | 180.0° |
| C20 | C23 | H11 | H12 | 120.0° | 120.0° |
| C20 | C23 | H11 | H13 | 120.0° | 120.0° |
| C20 | C23 | H12 | H13 | 120.0° | 119.9° |
| H3 | C18 | C19 | H4 | 0.7° | 0.1° |
| H5 | C21 | H6 | H7 | 120.0° | 120.0° |
| H8 | C22 | H9 | H10 | 120.0° | 120.0° |
| H11 | C23 | H12 | H13 | 120.0° | 120.0° |
| H14 | C24 | N25 | H21 | 0.3° | 0.1° |
| H16 | C5 | C6 | H17 | 0.4° | 0.0° |
