MY7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | C23 | doub | 1.21Å | 1.25Å | |
| C23 | O24 | sing | 1.35Å | 1.28Å | |
| C23 | C21 | sing | 1.47Å | 1.40Å | |
| C20 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.36Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C17 | doub | 1.40Å | 1.33Å | Aromatic |
| C22 | C16 | doub | 1.38Å | 1.34Å | Aromatic |
| C17 | C16 | sing | 1.41Å | 1.35Å | Aromatic |
| C17 | N18 | sing | 1.35Å | 1.33Å | Aromatic |
| C16 | N15 | sing | 1.39Å | 1.35Å | Aromatic |
| N18 | C14 | doub | 1.31Å | 1.34Å | Aromatic |
| N15 | C14 | sing | 1.36Å | 1.33Å | Aromatic |
| C14 | N9 | sing | 1.38Å | 1.35Å | |
| N9 | N10 | sing | 1.39Å | 1.34Å | |
| N9 | C8 | sing | 1.35Å | 1.37Å | |
| N10 | C11 | doub | 1.28Å | 1.32Å | |
| O13 | C8 | doub | 1.21Å | 1.36Å | |
| C8 | C7 | sing | 1.52Å | 1.36Å | |
| C11 | C7 | sing | 1.51Å | 1.34Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C7 | C6 | sing | 1.51Å | 1.38Å | |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C4 | H10 | sing | 1.08Å | 1.08Å | |
| C5 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| N15 | H13 | sing | 0.97Å | 1.00Å | |
| O24 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | C23 | O24 | 119.2° | 120.0° |
| O25 | C23 | C21 | 119.0° | 120.0° |
| O24 | C23 | C21 | 121.6° | 120.0° |
| C23 | O24 | H15 | 109.5° | 117.0° |
| C23 | C21 | C20 | 121.4° | 120.0° |
| C23 | C21 | C22 | 121.3° | 120.0° |
| C21 | C20 | C19 | 120.2° | 120.5° |
| C20 | C21 | C22 | 117.2° | 120.0° |
| C21 | C20 | H7 | 119.9° | 119.8° |
| C20 | C19 | C17 | 119.6° | 120.1° |
| C20 | C19 | H5 | 120.2° | 119.9° |
| C19 | C20 | H7 | 119.9° | 119.7° |
| C21 | C22 | C16 | 120.1° | 119.6° |
| C21 | C22 | H8 | 119.9° | 120.1° |
| C19 | C17 | C16 | 120.9° | 119.7° |
| C19 | C17 | N18 | 131.1° | 133.2° |
| C17 | C19 | H5 | 120.2° | 120.0° |
| C22 | C16 | C17 | 121.9° | 120.0° |
| C22 | C16 | N15 | 129.8° | 133.9° |
| C16 | C22 | H8 | 119.9° | 120.2° |
| C16 | C17 | N18 | 108.1° | 107.2° |
| C17 | C16 | N15 | 108.3° | 106.1° |
| C17 | N18 | C14 | 107.3° | 109.8° |
| C16 | N15 | C14 | 106.9° | 107.0° |
| C16 | N15 | H13 | 126.5° | 126.5° |
| N18 | C14 | N15 | 109.3° | 109.9° |
| N18 | C14 | N9 | 124.2° | 125.0° |
| N15 | C14 | N9 | 125.8° | 125.0° |
| C14 | N15 | H13 | 126.6° | 126.5° |
| C14 | N9 | N10 | 122.1° | 124.5° |
| C14 | N9 | C8 | 131.7° | 124.4° |
| N10 | N9 | C8 | 105.8° | 111.1° |
| N9 | N10 | C11 | 109.0° | 113.2° |
| N9 | C8 | O13 | 122.2° | 127.5° |
| N9 | C8 | C7 | 109.3° | 105.0° |
| N10 | C11 | C7 | 110.2° | 107.2° |
| N10 | C11 | C12 | 119.0° | 126.4° |
| O13 | C8 | C7 | 128.4° | 127.5° |
| C8 | C7 | C11 | 104.9° | 103.5° |
| C8 | C7 | C6 | 125.6° | 110.6° |
| C8 | C7 | H12 | 94.0° | 110.7° |
| C7 | C11 | C12 | 130.0° | 126.4° |
| C11 | C7 | C6 | 128.0° | 110.6° |
| C11 | C7 | H12 | 94.0° | 110.6° |
| C11 | C12 | H2 | 109.5° | 109.4° |
| C11 | C12 | H3 | 109.5° | 109.5° |
| C11 | C12 | H4 | 109.5° | 109.5° |
| C7 | C6 | C5 | 121.4° | 120.0° |
| C7 | C6 | C1 | 121.8° | 120.0° |
| C6 | C7 | H12 | 93.9° | 110.6° |
| C5 | C6 | C1 | 116.4° | 120.0° |
| C6 | C5 | C4 | 121.4° | 120.0° |
| C6 | C5 | H11 | 119.3° | 120.0° |
| C6 | C1 | C2 | 122.3° | 120.0° |
| C6 | C1 | H1 | 118.9° | 119.9° |
| C5 | C4 | C3 | 121.7° | 120.0° |
| C5 | C4 | H10 | 119.1° | 120.0° |
| C4 | C5 | H11 | 119.3° | 120.0° |
| C1 | C2 | C3 | 119.7° | 120.0° |
| C2 | C1 | H1 | 118.9° | 120.1° |
| C1 | C2 | H6 | 120.1° | 120.0° |
| C4 | C3 | C2 | 118.2° | 119.9° |
| C4 | C3 | H9 | 120.9° | 120.1° |
| C3 | C4 | H10 | 119.2° | 119.9° |
| C3 | C2 | H6 | 120.2° | 120.0° |
| C2 | C3 | H9 | 120.9° | 120.0° |
| H2 | C12 | H3 | 109.4° | 109.5° |
| H2 | C12 | H4 | 109.4° | 109.5° |
| H3 | C12 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | C23 | O24 | C21 | 173.8° | 179.9° |
| O25 | C23 | C21 | C20 | 13.2° | 180.0° |
| O25 | C23 | C21 | C22 | 162.5° | 0.3° |
| O25 | C23 | O24 | H15 | 0.0° | 0.0° |
| O24 | C23 | C21 | C20 | 173.0° | 0.1° |
| O24 | C23 | C21 | C22 | 11.3° | 179.9° |
| C23 | C21 | C20 | C22 | 175.9° | 179.8° |
| C23 | C21 | C20 | C19 | 179.4° | 179.9° |
| C23 | C21 | C22 | C16 | 178.4° | 179.9° |
| C23 | C21 | C20 | H7 | 0.6° | 0.2° |
| C23 | C21 | C22 | H8 | 1.7° | 0.2° |
| C21 | C23 | O24 | H15 | 173.8° | 179.9° |
| C21 | C20 | C19 | H7 | 180.0° | 179.9° |
| C21 | C20 | C19 | C17 | 4.6° | 0.0° |
| C20 | C21 | C22 | C16 | 2.5° | 0.3° |
| C21 | C20 | C19 | H5 | 175.4° | 180.0° |
| C20 | C21 | C22 | H8 | 177.6° | 180.0° |
| C19 | C20 | C21 | C22 | 4.7° | 0.2° |
| C20 | C19 | C17 | H5 | 180.0° | 180.0° |
| C20 | C19 | C17 | C16 | 1.9° | 0.0° |
| C20 | C19 | C17 | N18 | 178.0° | 180.0° |
| C21 | C22 | C16 | H8 | 180.0° | 179.7° |
| C21 | C22 | C16 | C17 | 0.1° | 0.3° |
| C21 | C22 | C16 | N15 | 179.7° | 179.9° |
| C22 | C21 | C20 | H7 | 175.2° | 180.0° |
| C19 | C17 | C16 | C22 | 0.4° | 0.2° |
| C19 | C17 | C16 | N18 | 179.9° | 180.0° |
| C19 | C17 | C16 | N15 | 179.4° | 180.0° |
| C19 | C17 | N18 | C14 | 177.9° | 179.8° |
| C17 | C19 | C20 | H7 | 175.4° | 179.9° |
| C22 | C16 | C17 | N15 | 179.9° | 179.9° |
| C22 | C16 | C17 | N18 | 179.7° | 179.9° |
| C22 | C16 | N15 | C14 | 177.2° | 180.0° |
| C22 | C16 | N15 | H13 | 2.8° | 0.1° |
| C16 | C17 | N18 | C14 | 2.2° | 0.1° |
| C17 | C16 | N15 | C14 | 2.9° | 0.1° |
| C16 | C17 | C19 | H5 | 178.1° | 180.0° |
| C17 | C16 | C22 | H8 | 179.9° | 180.0° |
| C17 | C16 | N15 | H13 | 177.1° | 179.8° |
| N18 | C17 | C16 | N15 | 0.5° | 0.0° |
| C17 | N18 | C14 | N15 | 4.1° | 0.2° |
| C17 | N18 | C14 | N9 | 175.0° | 180.0° |
| N18 | C17 | C19 | H5 | 2.0° | 0.0° |
| C16 | N15 | C14 | N18 | 4.3° | 0.2° |
| C16 | N15 | C14 | H13 | 180.0° | 179.9° |
| C16 | N15 | C14 | N9 | 175.1° | 180.0° |
| N15 | C16 | C22 | H8 | 0.3° | 0.2° |
| N18 | C14 | N15 | N9 | 170.8° | 179.8° |
| N18 | C14 | N9 | N10 | 2.3° | 179.7° |
| N18 | C14 | N9 | C8 | 169.8° | 0.8° |
| N18 | C14 | N15 | H13 | 175.7° | 179.7° |
| N15 | C14 | N9 | N10 | 171.8° | 0.1° |
| N15 | C14 | N9 | C8 | 0.3° | 179.5° |
| C14 | N9 | N10 | C8 | 173.9° | 179.6° |
| C14 | N9 | N10 | C11 | 173.0° | 180.0° |
| C14 | N9 | C8 | O13 | 6.2° | 0.1° |
| C14 | N9 | C8 | C7 | 177.5° | 179.8° |
| N9 | C14 | N15 | H13 | 4.9° | 0.1° |
| N10 | N9 | C8 | O13 | 179.3° | 179.8° |
| N10 | N9 | C8 | C7 | 4.4° | 0.2° |
| N9 | N10 | C11 | C7 | 6.0° | 0.4° |
| N9 | N10 | C11 | C12 | 176.9° | 179.8° |
| C8 | N9 | N10 | C11 | 0.9° | 0.4° |
| N9 | C8 | O13 | C7 | 175.6° | 179.9° |
| N9 | C8 | C7 | C11 | 7.8° | 0.1° |
| N9 | C8 | C7 | C6 | 174.9° | 118.5° |
| N9 | C8 | C7 | H12 | 87.4° | 118.5° |
| N10 | C11 | C7 | C8 | 8.5° | 0.3° |
| N10 | C11 | C7 | C12 | 169.5° | 179.7° |
| N10 | C11 | C7 | C6 | 175.2° | 118.3° |
| N10 | C11 | C12 | H2 | 0.0° | 90.3° |
| N10 | C11 | C12 | H3 | 120.0° | 29.7° |
| N10 | C11 | C12 | H4 | 120.0° | 149.7° |
| N10 | C11 | C7 | H12 | 86.7° | 118.9° |
| O13 | C8 | C7 | C11 | 176.1° | 180.0° |
| O13 | C8 | C7 | C6 | 9.0° | 61.4° |
| O13 | C8 | C7 | H12 | 88.7° | 61.5° |
| C8 | C7 | C11 | C6 | 166.7° | 118.5° |
| C8 | C7 | C11 | H12 | 95.2° | 118.6° |
| C8 | C7 | C11 | C12 | 178.0° | 180.0° |
| C8 | C7 | C6 | H12 | 97.7° | 123.0° |
| C8 | C7 | C6 | C5 | 34.6° | 125.9° |
| C8 | C7 | C6 | C1 | 152.9° | 54.7° |
| C11 | C7 | C6 | H12 | 98.2° | 122.8° |
| C11 | C7 | C6 | C5 | 161.3° | 120.0° |
| C11 | C7 | C6 | C1 | 11.3° | 59.4° |
| C7 | C11 | C12 | H2 | 168.8° | 90.0° |
| C7 | C11 | C12 | H3 | 71.2° | 150.0° |
| C7 | C11 | C12 | H4 | 48.8° | 30.0° |
| C12 | C11 | C7 | C6 | 15.3° | 61.5° |
| C11 | C12 | H2 | H3 | 120.0° | 120.0° |
| C11 | C12 | H2 | H4 | 120.0° | 120.0° |
| C11 | C12 | H3 | H4 | 120.0° | 120.0° |
| C12 | C11 | C7 | H12 | 82.8° | 61.4° |
| C7 | C6 | C5 | C1 | 172.9° | 179.4° |
| C7 | C6 | C5 | C4 | 174.2° | 180.0° |
| C7 | C6 | C1 | C2 | 178.7° | 180.0° |
| C7 | C6 | C1 | H1 | 1.2° | 0.3° |
| C7 | C6 | C5 | H11 | 5.8° | 0.2° |
| C6 | C5 | C4 | H11 | 180.0° | 179.8° |
| C5 | C6 | C1 | C2 | 5.8° | 0.6° |
| C6 | C5 | C4 | C3 | 2.5° | 0.3° |
| C5 | C6 | C1 | H1 | 174.2° | 179.7° |
| C6 | C5 | C4 | H10 | 177.5° | 179.8° |
| C5 | C6 | C7 | H12 | 63.1° | 2.9° |
| C1 | C6 | C5 | C4 | 1.2° | 0.6° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C6 | C1 | C2 | C3 | 6.7° | 0.3° |
| C6 | C1 | C2 | H6 | 173.3° | 179.7° |
| C1 | C6 | C5 | H11 | 178.7° | 179.6° |
| C1 | C6 | C7 | H12 | 109.4° | 177.7° |
| C5 | C4 | C3 | H10 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 1.8° | 0.1° |
| C5 | C4 | C3 | H9 | 178.2° | 180.0° |
| C1 | C2 | C3 | C4 | 2.7° | 0.1° |
| C1 | C2 | C3 | H6 | 180.0° | 180.0° |
| C1 | C2 | C3 | H9 | 177.3° | 180.0° |
| C4 | C3 | C2 | H9 | 180.0° | 179.9° |
| C4 | C3 | C2 | H6 | 177.3° | 180.0° |
| C3 | C4 | C5 | H11 | 177.5° | 179.9° |
| C3 | C2 | C1 | H1 | 173.3° | 180.0° |
| C2 | C3 | C4 | H10 | 178.2° | 179.9° |
| H1 | C1 | C2 | H6 | 6.7° | 0.0° |
| H2 | C12 | H3 | H4 | 119.9° | 120.0° |
| H5 | C19 | C20 | H7 | 4.6° | 0.1° |
| H6 | C2 | C3 | H9 | 2.7° | 0.0° |
| H9 | C3 | C4 | H10 | 1.8° | 0.0° |
| H10 | C4 | C5 | H11 | 2.5° | 0.0° |
