AM0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C7 | doub | 1.32Å | 1.36Å | Aromatic |
| N3 | C10 | sing | 1.33Å | 1.37Å | Aromatic |
| C7 | N4 | sing | 1.32Å | 1.36Å | Aromatic |
| N4 | C8 | doub | 1.33Å | 1.43Å | Aromatic |
| C8 | N5 | sing | 1.33Å | 1.40Å | Aromatic |
| C8 | N7 | sing | 1.39Å | 1.43Å | Aromatic |
| N5 | C10 | doub | 1.33Å | 1.37Å | Aromatic |
| C10 | N2 | sing | 1.38Å | 1.39Å | |
| N2 | C13 | sing | 1.40Å | 1.40Å | |
| C11 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C17 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.45Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.42Å | Aromatic |
| C15 | O3 | sing | 1.36Å | 1.41Å | |
| C16 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| C16 | O1 | sing | 1.36Å | 1.37Å | |
| C17 | O2 | sing | 1.36Å | 1.39Å | |
| O1 | C9 | sing | 1.43Å | 1.42Å | |
| O2 | C18 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | doub | 1.38Å | 1.46Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.46Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.47Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.48Å | Aromatic |
| C3 | N6 | sing | 1.36Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.49Å | Aromatic |
| C4 | N7 | sing | 1.39Å | 1.44Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.46Å | Aromatic |
| N6 | C12 | doub | 1.31Å | 1.34Å | Aromatic |
| C12 | N7 | sing | 1.37Å | 1.34Å | Aromatic |
| C12 | N1 | sing | 1.38Å | 1.48Å | |
| N1 | C24 | sing | 1.40Å | 1.38Å | |
| O3 | C19 | sing | 1.43Å | 1.45Å | |
| C20 | C21 | doub | 1.38Å | 1.46Å | Aromatic |
| C20 | C25 | sing | 1.38Å | 1.44Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.44Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.43Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.45Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.48Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | N3 | C10 | 119.2° | 120.1° |
| N3 | C7 | N4 | 121.4° | 120.2° |
| N3 | C7 | H7 | 119.3° | 119.9° |
| N3 | C10 | N5 | 121.4° | 119.9° |
| N3 | C10 | N2 | 118.7° | 120.1° |
| C7 | N4 | C8 | 121.3° | 120.1° |
| N4 | C7 | H7 | 119.3° | 120.0° |
| N4 | C8 | N5 | 115.6° | 119.9° |
| N4 | C8 | N7 | 126.7° | 120.0° |
| N5 | C8 | N7 | 117.5° | 120.0° |
| C8 | N5 | C10 | 121.2° | 119.8° |
| C8 | N7 | C4 | 130.5° | 126.4° |
| C8 | N7 | C12 | 120.7° | 126.4° |
| N5 | C10 | N2 | 119.9° | 120.0° |
| C10 | N2 | C13 | 127.9° | 120.0° |
| C10 | N2 | HN2 | 116.1° | 120.0° |
| N2 | C13 | C11 | 112.7° | 120.0° |
| N2 | C13 | C14 | 125.8° | 120.0° |
| C13 | N2 | HN2 | 116.0° | 120.0° |
| C13 | C11 | C17 | 119.4° | 120.0° |
| C11 | C13 | C14 | 121.5° | 120.0° |
| C13 | C11 | H11 | 120.3° | 120.0° |
| C11 | C17 | C16 | 118.2° | 120.1° |
| C11 | C17 | O2 | 124.4° | 120.0° |
| C17 | C11 | H11 | 120.3° | 120.0° |
| C13 | C14 | C15 | 120.3° | 120.0° |
| C13 | C14 | H14 | 119.9° | 120.0° |
| C14 | C15 | C16 | 116.2° | 120.0° |
| C14 | C15 | O3 | 125.0° | 120.0° |
| C15 | C14 | H14 | 119.9° | 120.0° |
| C16 | C15 | O3 | 118.8° | 120.1° |
| C15 | C16 | C17 | 124.4° | 120.0° |
| C15 | C16 | O1 | 114.1° | 120.0° |
| C15 | O3 | C19 | 122.1° | 117.0° |
| C17 | C16 | O1 | 121.4° | 120.1° |
| C16 | C17 | O2 | 117.4° | 120.0° |
| C16 | O1 | C9 | 112.4° | 117.0° |
| C17 | O2 | C18 | 120.0° | 117.0° |
| O1 | C9 | H9 | 109.5° | 109.5° |
| O1 | C9 | H9A | 109.5° | 109.5° |
| O1 | C9 | H9B | 109.4° | 109.5° |
| O2 | C18 | H18 | 109.5° | 109.5° |
| O2 | C18 | H18A | 109.5° | 109.5° |
| O2 | C18 | H18B | 109.4° | 109.5° |
| C2 | C1 | C6 | 121.7° | 120.5° |
| C1 | C2 | C3 | 120.4° | 119.8° |
| C2 | C1 | H1 | 119.1° | 119.7° |
| C1 | C2 | H2 | 119.8° | 120.2° |
| C1 | C6 | C5 | 118.1° | 120.4° |
| C6 | C1 | H1 | 119.1° | 119.8° |
| C1 | C6 | H6 | 120.9° | 119.8° |
| C2 | C3 | C4 | 119.2° | 119.5° |
| C2 | C3 | N6 | 135.1° | 133.3° |
| C3 | C2 | H2 | 119.8° | 120.1° |
| C4 | C3 | N6 | 105.7° | 107.2° |
| C3 | C4 | C5 | 118.8° | 119.9° |
| C3 | C4 | N7 | 104.2° | 106.1° |
| C3 | N6 | C12 | 110.1° | 109.7° |
| C5 | C4 | N7 | 136.9° | 133.9° |
| C4 | C5 | C6 | 121.7° | 119.9° |
| C4 | C5 | H5 | 119.1° | 120.1° |
| C4 | N7 | C12 | 108.8° | 107.2° |
| C6 | C5 | H5 | 119.1° | 120.0° |
| C5 | C6 | H6 | 121.0° | 119.8° |
| N6 | C12 | N7 | 111.1° | 109.8° |
| N6 | C12 | N1 | 123.1° | 125.1° |
| N7 | C12 | N1 | 125.8° | 125.1° |
| C12 | N1 | C24 | 124.2° | 120.0° |
| C12 | N1 | HN1 | 117.9° | 120.0° |
| N1 | C24 | C23 | 114.9° | 120.1° |
| N1 | C24 | C25 | 122.6° | 120.0° |
| C24 | N1 | HN1 | 117.9° | 120.0° |
| O3 | C19 | H19 | 109.5° | 109.5° |
| O3 | C19 | H19A | 109.5° | 109.5° |
| O3 | C19 | H19B | 109.4° | 109.5° |
| C21 | C20 | C25 | 115.8° | 120.1° |
| C20 | C21 | C22 | 126.8° | 120.1° |
| C21 | C20 | H20 | 122.1° | 119.9° |
| C20 | C21 | H21 | 116.6° | 120.0° |
| C20 | C25 | C24 | 119.0° | 119.9° |
| C25 | C20 | H20 | 122.1° | 119.9° |
| C20 | C25 | H25 | 120.5° | 120.0° |
| C21 | C22 | C23 | 116.3° | 120.1° |
| C22 | C21 | H21 | 116.6° | 119.9° |
| C21 | C22 | H22 | 121.8° | 119.9° |
| C22 | C23 | C24 | 119.6° | 119.9° |
| C23 | C22 | H22 | 121.8° | 120.0° |
| C22 | C23 | H23 | 120.2° | 120.1° |
| C23 | C24 | C25 | 122.4° | 119.9° |
| C24 | C23 | H23 | 120.2° | 120.0° |
| C24 | C25 | H25 | 120.5° | 120.1° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| H9 | C9 | H9B | 109.4° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.4° |
| H18 | C18 | H18A | 109.4° | 109.5° |
| H18 | C18 | H18B | 109.5° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.5° |
| H19 | C19 | H19A | 109.5° | 109.5° |
| H19 | C19 | H19B | 109.4° | 109.4° |
| H19A | C19 | H19B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C7 | N4 | H7 | 180.0° | 180.0° |
| N3 | C7 | N4 | C8 | 0.2° | 0.0° |
| C7 | N3 | C10 | N5 | 0.1° | 0.0° |
| C7 | N3 | C10 | N2 | 179.2° | 180.0° |
| C10 | N3 | C7 | N4 | 0.2° | 0.0° |
| N3 | C10 | N5 | C8 | 0.3° | 0.0° |
| N3 | C10 | N5 | N2 | 179.0° | 180.0° |
| N3 | C10 | N2 | C13 | 165.0° | 4.3° |
| C10 | N3 | C7 | H7 | 179.8° | 180.0° |
| N3 | C10 | N2 | HN2 | 15.0° | 175.8° |
| C7 | N4 | C8 | N5 | 0.6° | 0.0° |
| C7 | N4 | C8 | N7 | 175.9° | 179.9° |
| N4 | C8 | N5 | N7 | 176.8° | 180.0° |
| N4 | C8 | N5 | C10 | 0.7° | 0.0° |
| N4 | C8 | N7 | C4 | 176.2° | 0.0° |
| N4 | C8 | N7 | C12 | 5.3° | 180.0° |
| C8 | N4 | C7 | H7 | 179.8° | 180.0° |
| C8 | N5 | C10 | N2 | 178.7° | 180.0° |
| N5 | C8 | N7 | C4 | 7.4° | 180.0° |
| N5 | C8 | N7 | C12 | 171.1° | 0.0° |
| N7 | C8 | N5 | C10 | 176.1° | 179.9° |
| C8 | N7 | C4 | C3 | 178.4° | 180.0° |
| C8 | N7 | C4 | C5 | 2.1° | 0.0° |
| C8 | N7 | C4 | C12 | 178.6° | 180.0° |
| C8 | N7 | C12 | N6 | 178.5° | 180.0° |
| C8 | N7 | C12 | N1 | 2.4° | 0.0° |
| N5 | C10 | N2 | C13 | 14.1° | 175.7° |
| N5 | C10 | N2 | HN2 | 165.9° | 4.3° |
| C10 | N2 | C13 | HN2 | 180.0° | 180.0° |
| C10 | N2 | C13 | C11 | 158.7° | 35.3° |
| C10 | N2 | C13 | C14 | 20.1° | 144.8° |
| N2 | C13 | C11 | C14 | 178.9° | 179.9° |
| N2 | C13 | C11 | C17 | 178.8° | 179.9° |
| N2 | C13 | C14 | C15 | 178.5° | 179.9° |
| N2 | C13 | C11 | H11 | 1.2° | 0.3° |
| N2 | C13 | C14 | H14 | 1.5° | 0.1° |
| C13 | C11 | C17 | H11 | 180.0° | 179.7° |
| C11 | C13 | C14 | C15 | 0.3° | 0.0° |
| C13 | C11 | C17 | C16 | 0.1° | 0.0° |
| C13 | C11 | C17 | O2 | 178.9° | 180.0° |
| C11 | C13 | N2 | HN2 | 21.3° | 144.7° |
| C11 | C13 | C14 | H14 | 179.7° | 180.0° |
| C17 | C11 | C13 | C14 | 0.1° | 0.0° |
| C11 | C17 | C16 | C15 | 0.2° | 0.0° |
| C11 | C17 | C16 | O2 | 179.1° | 180.0° |
| C11 | C17 | C16 | O1 | 178.8° | 179.9° |
| C11 | C17 | O2 | C18 | 0.0° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.4° | 0.0° |
| C13 | C14 | C15 | O3 | 178.0° | 180.0° |
| C14 | C13 | N2 | HN2 | 159.8° | 35.2° |
| C14 | C13 | C11 | H11 | 179.9° | 179.7° |
| C14 | C15 | C16 | O3 | 178.5° | 180.0° |
| C14 | C15 | C16 | C17 | 0.4° | 0.0° |
| C14 | C15 | C16 | O1 | 178.7° | 180.0° |
| C14 | C15 | O3 | C19 | 17.8° | 0.0° |
| C15 | C16 | C17 | O1 | 179.0° | 180.0° |
| C15 | C16 | C17 | O2 | 178.8° | 180.0° |
| C15 | C16 | O1 | C9 | 98.3° | 90.0° |
| C16 | C15 | O3 | C19 | 163.9° | 180.0° |
| C16 | C15 | C14 | H14 | 179.6° | 180.0° |
| O3 | C15 | C16 | C17 | 178.1° | 180.0° |
| O3 | C15 | C16 | O1 | 2.8° | 0.0° |
| O3 | C15 | C14 | H14 | 2.0° | 0.0° |
| C15 | O3 | C19 | H19 | 115.2° | 180.0° |
| C15 | O3 | C19 | H19A | 124.8° | 60.0° |
| C15 | O3 | C19 | H19B | 4.8° | 60.1° |
| C17 | C16 | O1 | C9 | 82.6° | 90.0° |
| C16 | C17 | O2 | C18 | 179.0° | 180.0° |
| C16 | C17 | C11 | H11 | 179.9° | 179.8° |
| O1 | C16 | C17 | O2 | 2.1° | 0.0° |
| C16 | O1 | C9 | H9 | 133.8° | 179.9° |
| C16 | O1 | C9 | H9A | 106.2° | 60.0° |
| C16 | O1 | C9 | H9B | 13.9° | 59.9° |
| O2 | C17 | C11 | H11 | 1.0° | 0.3° |
| C17 | O2 | C18 | H18 | 87.4° | 60.0° |
| C17 | O2 | C18 | H18A | 152.6° | 60.0° |
| C17 | O2 | C18 | H18B | 32.6° | 180.0° |
| O1 | C9 | H9 | H9A | 120.0° | 120.0° |
| O1 | C9 | H9 | H9B | 120.0° | 120.0° |
| O1 | C9 | H9A | H9B | 120.0° | 120.0° |
| O2 | C18 | H18 | H18A | 120.0° | 120.0° |
| O2 | C18 | H18 | H18B | 120.0° | 120.0° |
| O2 | C18 | H18A | H18B | 120.0° | 120.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | N6 | 179.4° | 180.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C2 | C1 | C6 | H6 | 179.8° | 179.9° |
| C6 | C1 | C2 | C3 | 0.0° | 0.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C6 | C5 | H5 | 179.8° | 180.0° |
| C2 | C3 | C4 | N6 | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | N7 | 179.8° | 180.0° |
| C2 | C3 | N6 | C12 | 179.6° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | N7 | 179.4° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C4 | C3 | N6 | C12 | 0.0° | 0.0° |
| C3 | C4 | N7 | C12 | 0.2° | 0.0° |
| C4 | C3 | C2 | H2 | 179.7° | 180.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| N6 | C3 | C4 | C5 | 179.5° | 180.0° |
| N6 | C3 | C4 | N7 | 0.1° | 0.0° |
| C3 | N6 | C12 | N7 | 0.2° | 0.0° |
| C3 | N6 | C12 | N1 | 178.9° | 180.0° |
| N6 | C3 | C2 | H2 | 0.7° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | N7 | C12 | 179.3° | 180.0° |
| C4 | C5 | C6 | H6 | 179.8° | 179.9° |
| N7 | C4 | C5 | C6 | 179.4° | 180.0° |
| C4 | N7 | C12 | N6 | 0.2° | 0.0° |
| C4 | N7 | C12 | N1 | 178.8° | 180.0° |
| N7 | C4 | C5 | H5 | 0.6° | 0.0° |
| C5 | C6 | C1 | H1 | 179.8° | 179.7° |
| N6 | C12 | N7 | N1 | 179.1° | 180.0° |
| N6 | C12 | N1 | C24 | 8.3° | 5.9° |
| N6 | C12 | N1 | HN1 | 171.7° | 174.0° |
| N7 | C12 | N1 | C24 | 172.7° | 174.1° |
| N7 | C12 | N1 | HN1 | 7.3° | 6.0° |
| C12 | N1 | C24 | HN1 | 180.0° | 179.9° |
| C12 | N1 | C24 | C23 | 129.0° | 25.6° |
| C12 | N1 | C24 | C25 | 52.6° | 154.3° |
| N1 | C24 | C25 | C20 | 177.9° | 180.0° |
| N1 | C24 | C23 | C22 | 178.0° | 180.0° |
| N1 | C24 | C23 | C25 | 178.4° | 179.9° |
| N1 | C24 | C23 | H23 | 2.0° | 0.1° |
| N1 | C24 | C25 | H25 | 2.0° | 0.0° |
| O3 | C19 | H19 | H19A | 120.0° | 120.1° |
| O3 | C19 | H19 | H19B | 120.0° | 120.0° |
| O3 | C19 | H19A | H19B | 120.0° | 120.0° |
| C21 | C20 | C25 | H20 | 180.0° | 179.6° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.2° | 0.1° |
| C21 | C20 | C25 | C24 | 0.0° | 0.1° |
| C20 | C21 | C22 | H22 | 179.8° | 179.9° |
| C21 | C20 | C25 | H25 | 180.0° | 179.9° |
| C25 | C20 | C21 | C22 | 0.3° | 0.1° |
| C20 | C25 | C24 | C23 | 0.4° | 0.1° |
| C20 | C25 | C24 | H25 | 180.0° | 180.0° |
| C25 | C20 | C21 | H21 | 179.7° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.1° |
| C22 | C21 | C20 | H20 | 179.8° | 179.7° |
| C21 | C22 | C23 | H23 | 179.9° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.8° |
| C22 | C23 | C24 | C25 | 0.4° | 0.1° |
| C23 | C22 | C21 | H21 | 179.8° | 180.0° |
| C23 | C24 | N1 | HN1 | 51.0° | 154.4° |
| C24 | C23 | C22 | H22 | 179.9° | 179.9° |
| C23 | C24 | C25 | H25 | 179.7° | 179.9° |
| C25 | C24 | N1 | HN1 | 127.5° | 25.6° |
| C24 | C25 | C20 | H20 | 179.9° | 179.7° |
| C25 | C24 | C23 | H23 | 179.6° | 179.9° |
| H9 | C9 | H9A | H9B | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 0.0° | 0.3° |
| H1 | C1 | C6 | H6 | 0.2° | 0.2° |
| H5 | C5 | C6 | H6 | 0.2° | 0.1° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
| H19 | C19 | H19A | H19B | 120.0° | 119.9° |
| H20 | C20 | C21 | H21 | 0.3° | 0.3° |
| H20 | C20 | C25 | H25 | 0.0° | 0.3° |
| H21 | C21 | C22 | H22 | 0.2° | 0.0° |
| H22 | C22 | C23 | H23 | 0.1° | 0.1° |
