7Y1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N12 | C15 | doub | 1.31Å | 1.34Å | Aromatic |
| N12 | C13 | sing | 1.33Å | 1.34Å | Aromatic |
| C15 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
| C13 | C10 | doub | 1.36Å | 1.38Å | Aromatic |
| C6 | N7 | doub | 1.32Å | 1.36Å | Aromatic |
| C6 | N3 | sing | 1.38Å | 1.36Å | Aromatic |
| C10 | N3 | sing | 1.37Å | 1.35Å | Aromatic |
| C10 | O18 | sing | 1.36Å | 1.36Å | |
| N7 | N4 | sing | 1.29Å | 1.41Å | Aromatic |
| N3 | C1 | sing | 1.36Å | 1.35Å | Aromatic |
| C23 | O18 | sing | 1.43Å | 1.42Å | |
| C23 | C25 | sing | 1.53Å | 1.51Å | |
| N4 | C1 | doub | 1.32Å | 1.35Å | Aromatic |
| C1 | C2 | sing | 1.48Å | 1.53Å | |
| C25 | C27 | sing | 1.53Å | 1.51Å | |
| C2 | C9 | sing | 1.41Å | 1.39Å | Aromatic |
| C2 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | N8 | doub | 1.31Å | 1.36Å | Aromatic |
| C17 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C14 | sing | 1.48Å | 1.46Å | |
| C5 | N11 | sing | 1.36Å | 1.33Å | Aromatic |
| C14 | C16 | doub | 1.40Å | 1.38Å | Aromatic |
| C21 | C24 | sing | 1.51Å | 1.51Å | |
| C21 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C26 | sing | 1.53Å | 1.52Å | |
| N8 | N11 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| N11 | C22 | sing | 1.46Å | 1.47Å | |
| C9 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H5 | sing | 1.08Å | 1.08Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | N12 | C13 | 122.5° | 121.5° |
| N12 | C15 | C6 | 118.8° | 119.8° |
| N12 | C15 | H16 | 120.6° | 120.2° |
| N12 | C13 | C10 | 118.7° | 121.2° |
| N12 | C13 | H2 | 120.6° | 119.4° |
| C15 | C6 | N7 | 130.5° | 134.2° |
| C15 | C6 | N3 | 119.8° | 118.8° |
| C6 | C15 | H16 | 120.6° | 120.1° |
| C13 | C10 | N3 | 120.6° | 119.5° |
| C13 | C10 | O18 | 118.4° | 120.2° |
| C10 | C13 | H2 | 120.7° | 119.4° |
| N7 | C6 | N3 | 109.6° | 107.0° |
| C6 | N7 | N4 | 107.4° | 109.7° |
| C6 | N3 | C10 | 119.6° | 119.2° |
| C6 | N3 | C1 | 106.3° | 105.9° |
| N3 | C10 | O18 | 121.0° | 120.2° |
| C10 | N3 | C1 | 134.1° | 134.9° |
| C10 | O18 | C23 | 117.3° | 117.0° |
| N7 | N4 | C1 | 105.0° | 110.2° |
| N3 | C1 | N4 | 111.6° | 107.2° |
| N3 | C1 | C2 | 127.6° | 126.4° |
| O18 | C23 | C25 | 111.0° | 109.4° |
| O18 | C23 | H14 | 109.1° | 109.5° |
| O18 | C23 | H15 | 109.1° | 109.5° |
| C23 | C25 | C27 | 110.9° | 109.5° |
| C23 | C25 | H12 | 109.1° | 109.5° |
| C23 | C25 | H13 | 109.1° | 109.5° |
| C25 | C23 | H14 | 109.1° | 109.5° |
| C25 | C23 | H15 | 109.1° | 109.5° |
| N4 | C1 | C2 | 120.3° | 126.4° |
| C1 | C2 | C9 | 116.9° | 126.4° |
| C1 | C2 | C5 | 132.4° | 126.4° |
| C25 | C27 | H9 | 109.5° | 109.5° |
| C25 | C27 | H10 | 109.5° | 109.4° |
| C25 | C27 | H11 | 109.4° | 109.5° |
| C27 | C25 | H12 | 109.1° | 109.5° |
| C27 | C25 | H13 | 109.1° | 109.4° |
| C9 | C2 | C5 | 109.8° | 107.2° |
| C2 | C9 | N8 | 107.6° | 108.5° |
| C2 | C9 | H1 | 126.2° | 125.7° |
| C2 | C5 | C14 | 130.5° | 126.5° |
| C2 | C5 | N11 | 104.1° | 106.9° |
| C9 | N8 | N11 | 105.3° | 109.2° |
| N8 | C9 | H1 | 126.2° | 125.8° |
| C20 | C17 | C14 | 118.2° | 119.8° |
| C17 | C20 | C21 | 121.0° | 120.2° |
| C17 | C20 | H3 | 119.5° | 119.9° |
| C20 | C17 | H21 | 120.9° | 120.1° |
| C17 | C14 | C5 | 119.3° | 120.2° |
| C17 | C14 | C16 | 121.4° | 119.7° |
| C14 | C17 | H21 | 120.9° | 120.1° |
| C20 | C21 | C24 | 120.3° | 119.9° |
| C20 | C21 | C19 | 119.5° | 120.3° |
| C21 | C20 | H3 | 119.5° | 119.9° |
| C14 | C5 | N11 | 125.2° | 126.6° |
| C5 | C14 | C16 | 119.3° | 120.1° |
| C5 | N11 | N8 | 112.9° | 108.2° |
| C5 | N11 | C22 | 133.1° | 125.9° |
| C14 | C16 | C19 | 120.0° | 119.8° |
| C14 | C16 | H4 | 120.0° | 120.1° |
| C24 | C21 | C19 | 120.2° | 119.9° |
| C21 | C24 | C26 | 106.4° | 109.5° |
| C21 | C24 | H22 | 110.2° | 109.4° |
| C21 | C24 | H23 | 110.2° | 109.5° |
| C21 | C19 | C16 | 119.8° | 120.2° |
| C21 | C19 | H5 | 120.1° | 119.9° |
| C24 | C26 | H6 | 109.5° | 109.5° |
| C24 | C26 | H7 | 109.5° | 109.5° |
| C24 | C26 | H8 | 109.4° | 109.5° |
| C26 | C24 | H22 | 110.2° | 109.4° |
| C26 | C24 | H23 | 110.3° | 109.5° |
| N8 | N11 | C22 | 114.0° | 125.9° |
| C19 | C16 | H4 | 120.0° | 120.1° |
| C16 | C19 | H5 | 120.1° | 119.9° |
| N11 | C22 | H18 | 109.5° | 109.5° |
| N11 | C22 | H19 | 109.5° | 109.5° |
| N11 | C22 | H20 | 109.5° | 109.5° |
| H6 | C26 | H7 | 109.4° | 109.4° |
| H6 | C26 | H8 | 109.5° | 109.4° |
| H7 | C26 | H8 | 109.5° | 109.5° |
| H9 | C27 | H10 | 109.4° | 109.5° |
| H9 | C27 | H11 | 109.5° | 109.5° |
| H10 | C27 | H11 | 109.5° | 109.5° |
| H12 | C25 | H13 | 109.4° | 109.4° |
| H14 | C23 | H15 | 109.5° | 109.5° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H18 | C22 | H20 | 109.4° | 109.4° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N12 | C15 | C6 | H16 | 180.0° | 179.8° |
| C15 | N12 | C13 | C10 | 1.8° | 0.1° |
| N12 | C15 | C6 | N7 | 179.2° | 180.0° |
| N12 | C15 | C6 | N3 | 0.9° | 0.1° |
| C15 | N12 | C13 | H2 | 178.3° | 179.7° |
| C13 | N12 | C15 | C6 | 1.1° | 0.2° |
| N12 | C13 | C10 | H2 | 180.0° | 179.8° |
| N12 | C13 | C10 | N3 | 2.3° | 0.2° |
| N12 | C13 | C10 | O18 | 178.2° | 179.9° |
| C13 | N12 | C15 | H16 | 178.9° | 180.0° |
| C15 | C6 | N7 | N3 | 179.9° | 179.9° |
| C15 | C6 | N3 | C10 | 1.4° | 0.2° |
| C15 | C6 | N7 | N4 | 179.3° | 180.0° |
| C15 | C6 | N3 | C1 | 178.8° | 180.0° |
| C13 | C10 | N3 | C6 | 2.1° | 0.3° |
| C13 | C10 | N3 | O18 | 179.6° | 179.9° |
| C13 | C10 | N3 | C1 | 178.7° | 179.9° |
| C13 | C10 | O18 | C23 | 49.9° | 0.0° |
| N7 | C6 | N3 | C10 | 178.7° | 179.7° |
| N7 | C6 | N3 | C1 | 1.3° | 0.1° |
| C6 | N7 | N4 | C1 | 2.2° | 0.0° |
| N7 | C6 | C15 | H16 | 0.8° | 0.2° |
| C6 | N3 | C10 | C1 | 176.5° | 179.8° |
| C6 | N3 | C10 | O18 | 178.3° | 179.8° |
| N3 | C6 | N7 | N4 | 0.6° | 0.1° |
| C6 | N3 | C1 | N4 | 2.7° | 0.1° |
| C6 | N3 | C1 | C2 | 174.6° | 180.0° |
| N3 | C6 | C15 | H16 | 179.1° | 179.9° |
| N3 | C10 | O18 | C23 | 130.5° | 180.0° |
| C10 | N3 | C1 | N4 | 179.6° | 179.7° |
| C10 | N3 | C1 | C2 | 8.5° | 0.2° |
| N3 | C10 | C13 | H2 | 177.8° | 180.0° |
| O18 | C10 | N3 | C1 | 1.8° | 0.0° |
| C10 | O18 | C23 | C25 | 155.6° | 180.0° |
| O18 | C10 | C13 | H2 | 1.8° | 0.1° |
| C10 | O18 | C23 | H14 | 35.4° | 60.0° |
| C10 | O18 | C23 | H15 | 84.1° | 60.0° |
| N7 | N4 | C1 | N3 | 3.0° | 0.1° |
| N7 | N4 | C1 | C2 | 175.6° | 180.0° |
| N3 | C1 | N4 | C2 | 172.6° | 179.9° |
| N3 | C1 | C2 | C9 | 61.9° | 47.8° |
| N3 | C1 | C2 | C5 | 130.0° | 132.2° |
| O18 | C23 | C25 | H14 | 120.2° | 120.0° |
| O18 | C23 | C25 | H15 | 120.2° | 120.0° |
| O18 | C23 | C25 | C27 | 107.2° | 180.0° |
| O18 | C23 | C25 | H12 | 132.6° | 60.0° |
| O18 | C23 | C25 | H13 | 13.1° | 60.0° |
| O18 | C23 | H14 | H15 | 119.3° | 120.0° |
| C23 | C25 | C27 | H12 | 120.2° | 120.0° |
| C23 | C25 | C27 | H13 | 120.2° | 120.1° |
| C23 | C25 | C27 | H9 | 180.0° | 180.0° |
| C23 | C25 | C27 | H10 | 60.0° | 60.0° |
| C23 | C25 | C27 | H11 | 60.0° | 60.0° |
| C23 | C25 | H12 | H13 | 119.3° | 120.1° |
| C25 | C23 | H14 | H15 | 119.3° | 120.0° |
| N4 | C1 | C2 | C9 | 109.4° | 132.0° |
| N4 | C1 | C2 | C5 | 58.7° | 47.9° |
| C1 | C2 | C9 | C5 | 170.7° | 180.0° |
| C1 | C2 | C9 | N8 | 175.9° | 180.0° |
| C1 | C2 | C5 | C14 | 10.5° | 0.0° |
| C1 | C2 | C5 | N11 | 174.3° | 179.8° |
| C1 | C2 | C9 | H1 | 4.1° | 0.2° |
| C25 | C27 | H9 | H10 | 120.0° | 120.0° |
| C25 | C27 | H9 | H11 | 120.0° | 120.0° |
| C25 | C27 | H10 | H11 | 120.0° | 120.0° |
| C27 | C25 | H12 | H13 | 119.3° | 119.9° |
| C27 | C25 | C23 | H14 | 13.1° | 60.0° |
| C27 | C25 | C23 | H15 | 132.6° | 60.0° |
| C2 | C9 | N8 | H1 | 180.0° | 179.8° |
| C9 | C2 | C5 | C14 | 179.3° | 180.0° |
| C9 | C2 | C5 | N11 | 5.5° | 0.2° |
| C2 | C9 | N8 | N11 | 2.6° | 0.2° |
| C5 | C2 | C9 | N8 | 5.2° | 0.0° |
| C2 | C5 | C14 | C17 | 66.0° | 45.8° |
| C2 | C5 | C14 | N11 | 174.3° | 179.7° |
| C2 | C5 | C14 | C16 | 114.1° | 135.0° |
| C2 | C5 | N11 | N8 | 4.0° | 0.3° |
| C2 | C5 | N11 | C22 | 177.6° | 179.9° |
| C5 | C2 | C9 | H1 | 174.8° | 179.7° |
| C9 | N8 | N11 | C5 | 0.9° | 0.3° |
| C9 | N8 | N11 | C22 | 179.7° | 179.9° |
| C20 | C17 | C14 | H21 | 180.0° | 180.0° |
| C17 | C20 | C21 | H3 | 180.0° | 179.8° |
| C20 | C17 | C14 | C5 | 179.7° | 179.7° |
| C20 | C17 | C14 | C16 | 0.3° | 0.6° |
| C17 | C20 | C21 | C24 | 179.2° | 179.7° |
| C17 | C20 | C21 | C19 | 1.2° | 0.2° |
| C14 | C17 | C20 | C21 | 0.0° | 0.1° |
| C17 | C14 | C5 | C16 | 180.0° | 179.2° |
| C17 | C14 | C5 | N11 | 108.3° | 133.9° |
| C17 | C14 | C16 | C19 | 0.5° | 0.8° |
| C14 | C17 | C20 | H3 | 180.0° | 179.7° |
| C17 | C14 | C16 | H4 | 179.4° | 179.7° |
| C20 | C21 | C24 | C19 | 177.9° | 179.9° |
| C20 | C21 | C24 | C26 | 75.0° | 90.0° |
| C20 | C21 | C19 | C16 | 2.1° | 0.0° |
| C20 | C21 | C19 | H5 | 177.8° | 179.9° |
| C21 | C20 | C17 | H21 | 180.0° | 180.0° |
| C20 | C21 | C24 | H22 | 165.5° | 150.1° |
| C20 | C21 | C24 | H23 | 44.5° | 30.1° |
| C14 | C5 | N11 | N8 | 179.5° | 179.9° |
| C5 | C14 | C16 | C19 | 179.4° | 179.9° |
| C14 | C5 | N11 | C22 | 2.1° | 0.2° |
| C5 | C14 | C16 | H4 | 0.6° | 0.5° |
| C5 | C14 | C17 | H21 | 0.3° | 0.3° |
| N11 | C5 | C14 | C16 | 71.7° | 45.3° |
| C5 | N11 | N8 | C22 | 178.7° | 179.7° |
| C5 | N11 | C22 | H18 | 178.4° | 90.4° |
| C5 | N11 | C22 | H19 | 58.4° | 29.6° |
| C5 | N11 | C22 | H20 | 61.6° | 149.6° |
| C14 | C16 | C19 | C21 | 1.8° | 0.5° |
| C14 | C16 | C19 | H4 | 180.0° | 179.5° |
| C14 | C16 | C19 | H5 | 178.2° | 179.4° |
| C16 | C14 | C17 | H21 | 179.7° | 179.5° |
| C21 | C24 | C26 | H22 | 119.5° | 120.0° |
| C21 | C24 | C26 | H23 | 119.5° | 120.1° |
| C24 | C21 | C19 | C16 | 180.0° | 179.9° |
| C24 | C21 | C20 | H3 | 0.9° | 0.1° |
| C24 | C21 | C19 | H5 | 0.1° | 0.0° |
| C21 | C24 | C26 | H6 | 180.0° | 180.0° |
| C21 | C24 | C26 | H7 | 60.0° | 60.1° |
| C21 | C24 | C26 | H8 | 60.0° | 60.0° |
| C21 | C24 | H22 | H23 | 121.4° | 120.0° |
| C19 | C21 | C24 | C26 | 102.8° | 90.0° |
| C21 | C19 | C16 | H5 | 180.0° | 179.9° |
| C19 | C21 | C20 | H3 | 178.8° | 180.0° |
| C21 | C19 | C16 | H4 | 178.2° | 180.0° |
| C19 | C21 | C24 | H22 | 16.7° | 30.0° |
| C19 | C21 | C24 | H23 | 137.6° | 150.0° |
| C24 | C26 | H6 | H7 | 120.0° | 120.0° |
| C24 | C26 | H6 | H8 | 120.0° | 120.0° |
| C24 | C26 | H7 | H8 | 120.0° | 120.1° |
| C26 | C24 | H22 | H23 | 121.5° | 120.0° |
| N11 | N8 | C9 | H1 | 177.4° | 180.0° |
| N8 | N11 | C22 | H18 | 0.0° | 89.9° |
| N8 | N11 | C22 | H19 | 120.0° | 150.1° |
| N8 | N11 | C22 | H20 | 120.0° | 30.1° |
| N11 | C22 | H18 | H19 | 120.0° | 120.0° |
| N11 | C22 | H18 | H20 | 120.0° | 120.0° |
| N11 | C22 | H19 | H20 | 120.0° | 120.0° |
| H3 | C20 | C17 | H21 | 0.0° | 0.2° |
| H4 | C16 | C19 | H5 | 1.8° | 0.1° |
| H6 | C26 | H7 | H8 | 120.0° | 120.0° |
| H6 | C26 | C24 | H22 | 60.5° | 60.0° |
| H6 | C26 | C24 | H23 | 60.5° | 60.0° |
| H7 | C26 | C24 | H22 | 179.5° | 180.0° |
| H7 | C26 | C24 | H23 | 59.5° | 60.0° |
| H8 | C26 | C24 | H22 | 59.5° | 60.0° |
| H8 | C26 | C24 | H23 | 179.5° | 179.9° |
| H9 | C27 | H10 | H11 | 120.0° | 120.0° |
| H9 | C27 | C25 | H12 | 59.8° | 60.0° |
| H9 | C27 | C25 | H13 | 59.8° | 59.9° |
| H10 | C27 | C25 | H12 | 179.7° | 60.0° |
| H10 | C27 | C25 | H13 | 60.2° | 179.9° |
| H11 | C27 | C25 | H12 | 60.2° | 180.0° |
| H11 | C27 | C25 | H13 | 179.8° | 60.1° |
| H12 | C25 | C23 | H14 | 107.2° | 180.0° |
| H12 | C25 | C23 | H15 | 12.4° | 60.0° |
| H13 | C25 | C23 | H14 | 133.3° | 60.0° |
| H13 | C25 | C23 | H15 | 107.1° | 180.0° |
| H18 | C22 | H19 | H20 | 120.0° | 120.0° |
