5MF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.55Å | 1.54Å | |
| C23 | C24 | sing | 1.55Å | 1.52Å | |
| C22 | C21 | sing | 1.54Å | 1.54Å | |
| C24 | N19 | sing | 1.48Å | 1.48Å | |
| C21 | N19 | sing | 1.47Å | 1.45Å | |
| N19 | C17 | sing | 1.40Å | 1.37Å | |
| C17 | N16 | doub | 1.31Å | 1.36Å | Aromatic |
| C17 | N18 | sing | 1.34Å | 1.40Å | Aromatic |
| N16 | N15 | sing | 1.40Å | 1.41Å | Aromatic |
| N18 | C14 | doub | 1.31Å | 1.35Å | Aromatic |
| N15 | C14 | sing | 1.34Å | 1.39Å | Aromatic |
| N15 | C20 | sing | 1.47Å | 1.48Å | |
| C14 | C13 | sing | 1.51Å | 1.49Å | |
| C12 | C13 | sing | 1.53Å | 1.57Å | |
| C12 | C10 | sing | 1.51Å | 1.49Å | |
| C10 | N9 | sing | 1.33Å | 1.38Å | Aromatic |
| C10 | N11 | doub | 1.31Å | 1.33Å | Aromatic |
| N9 | C8 | doub | 1.32Å | 1.32Å | Aromatic |
| N11 | N7 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | N7 | sing | 1.37Å | 1.41Å | Aromatic |
| C8 | C3 | sing | 1.41Å | 1.39Å | Aromatic |
| N7 | C4 | sing | 1.35Å | 1.40Å | Aromatic |
| C6 | C25 | sing | 1.53Å | 1.54Å | |
| C6 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | C2 | doub | 1.36Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C4 | N1 | doub | 1.31Å | 1.31Å | Aromatic |
| C2 | N1 | sing | 1.34Å | 1.36Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | 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 | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.08Å | 1.08Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | H19 | sing | 1.09Å | 1.10Å | |
| C5 | H20 | sing | 1.09Å | 1.10Å | |
| C6 | H21 | sing | 1.09Å | 1.10Å | |
| C6 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | C24 | 104.7° | 101.7° |
| C23 | C22 | C21 | 107.7° | 103.0° |
| C23 | C22 | H8 | 109.9° | 110.7° |
| C23 | C22 | H9 | 109.9° | 110.9° |
| C22 | C23 | H10 | 110.6° | 110.9° |
| C22 | C23 | H11 | 110.6° | 111.0° |
| C23 | C24 | N19 | 103.7° | 104.8° |
| C24 | C23 | H10 | 110.6° | 111.0° |
| C24 | C23 | H11 | 110.6° | 111.0° |
| C23 | C24 | H12 | 110.9° | 110.4° |
| C23 | C24 | H13 | 110.9° | 110.3° |
| C22 | C21 | N19 | 104.0° | 107.3° |
| C22 | C21 | H6 | 110.8° | 109.9° |
| C22 | C21 | H7 | 110.8° | 110.0° |
| C21 | C22 | H8 | 109.9° | 110.7° |
| C21 | C22 | H9 | 109.9° | 110.7° |
| C24 | N19 | C21 | 111.5° | 108.5° |
| C24 | N19 | C17 | 117.1° | 111.0° |
| N19 | C24 | H12 | 110.9° | 110.4° |
| N19 | C24 | H13 | 110.9° | 110.4° |
| C21 | N19 | C17 | 120.2° | 111.0° |
| N19 | C21 | H6 | 110.8° | 109.9° |
| N19 | C21 | H7 | 110.8° | 109.9° |
| N19 | C17 | N16 | 123.2° | 125.6° |
| N19 | C17 | N18 | 123.1° | 125.6° |
| N16 | C17 | N18 | 113.8° | 108.8° |
| C17 | N16 | N15 | 102.3° | 106.7° |
| C17 | N18 | C14 | 104.9° | 109.8° |
| N16 | N15 | C14 | 110.4° | 106.5° |
| N16 | N15 | C20 | 122.0° | 126.7° |
| N18 | C14 | N15 | 108.7° | 108.2° |
| N18 | C14 | C13 | 126.3° | 125.9° |
| C14 | N15 | C20 | 127.5° | 126.8° |
| N15 | C14 | C13 | 125.0° | 125.9° |
| N15 | C20 | H3 | 109.5° | 109.5° |
| N15 | C20 | H4 | 109.5° | 109.5° |
| N15 | C20 | H5 | 109.5° | 109.5° |
| C14 | C13 | C12 | 105.0° | 109.5° |
| C14 | C13 | H1 | 110.6° | 109.4° |
| C14 | C13 | H2 | 110.6° | 109.5° |
| C13 | C12 | C10 | 108.1° | 109.5° |
| C12 | C13 | H1 | 110.6° | 109.5° |
| C12 | C13 | H2 | 110.6° | 109.5° |
| C13 | C12 | H23 | 109.8° | 109.4° |
| C13 | C12 | H24 | 109.8° | 109.5° |
| C12 | C10 | N9 | 120.7° | 125.2° |
| C12 | C10 | N11 | 124.7° | 125.1° |
| C10 | C12 | H23 | 109.8° | 109.5° |
| C10 | C12 | H24 | 109.8° | 109.5° |
| N9 | C10 | N11 | 114.5° | 109.7° |
| C10 | N9 | C8 | 105.1° | 109.7° |
| C10 | N11 | N7 | 103.0° | 107.1° |
| N9 | C8 | N7 | 107.8° | 107.5° |
| N9 | C8 | C3 | 132.9° | 134.0° |
| N11 | N7 | C8 | 109.6° | 106.1° |
| N11 | N7 | C4 | 130.4° | 134.2° |
| N7 | C8 | C3 | 119.3° | 118.5° |
| C8 | N7 | C4 | 120.1° | 119.7° |
| C8 | C3 | C6 | 120.3° | 120.8° |
| C8 | C3 | C2 | 116.1° | 118.5° |
| N7 | C4 | C5 | 120.0° | 119.5° |
| N7 | C4 | N1 | 119.2° | 121.0° |
| C25 | C6 | C3 | 105.6° | 109.5° |
| C6 | C25 | H14 | 109.5° | 109.5° |
| C6 | C25 | H15 | 109.5° | 109.4° |
| C6 | C25 | H16 | 109.4° | 109.5° |
| C25 | C6 | H21 | 110.4° | 109.4° |
| C25 | C6 | H22 | 110.5° | 109.5° |
| C6 | C3 | C2 | 123.5° | 120.7° |
| C3 | C6 | H21 | 110.4° | 109.5° |
| C3 | C6 | H22 | 110.4° | 109.5° |
| C3 | C2 | N1 | 124.9° | 120.3° |
| C3 | C2 | H17 | 117.6° | 119.9° |
| C5 | C4 | N1 | 120.8° | 119.5° |
| C4 | C5 | H18 | 109.5° | 109.4° |
| C4 | C5 | H19 | 109.5° | 109.5° |
| C4 | C5 | H20 | 109.5° | 109.5° |
| C4 | N1 | C2 | 120.4° | 122.0° |
| N1 | C2 | H17 | 117.5° | 119.8° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C20 | H4 | 109.5° | 109.5° |
| H3 | C20 | H5 | 109.4° | 109.5° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.5° | 109.8° |
| H8 | C22 | H9 | 109.5° | 110.6° |
| H10 | C23 | H11 | 109.5° | 110.9° |
| H12 | C24 | H13 | 109.5° | 110.4° |
| H14 | C25 | H15 | 109.4° | 109.4° |
| H14 | C25 | H16 | 109.5° | 109.5° |
| H15 | C25 | H16 | 109.5° | 109.4° |
| H18 | C5 | H19 | 109.5° | 109.5° |
| H18 | C5 | H20 | 109.4° | 109.5° |
| H19 | C5 | H20 | 109.5° | 109.5° |
| H21 | C6 | H22 | 109.4° | 109.4° |
| H23 | C12 | H24 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | C24 | H10 | 119.2° | 118.1° |
| C22 | C23 | C24 | H11 | 119.2° | 118.1° |
| C23 | C22 | C21 | H8 | 119.7° | 118.4° |
| C23 | C22 | C21 | H9 | 119.7° | 118.6° |
| C22 | C23 | C24 | N19 | 26.5° | 37.1° |
| C23 | C22 | C21 | N19 | 1.6° | 22.3° |
| C23 | C22 | C21 | H6 | 120.8° | 97.1° |
| C23 | C22 | C21 | H7 | 117.5° | 141.8° |
| C23 | C22 | H8 | H9 | 120.8° | 123.4° |
| C22 | C23 | H10 | H11 | 122.2° | 123.8° |
| C22 | C23 | C24 | H12 | 92.6° | 81.8° |
| C22 | C23 | C24 | H13 | 145.5° | 155.9° |
| C24 | C23 | C22 | C21 | 15.7° | 35.6° |
| C23 | C24 | N19 | H12 | 119.1° | 118.8° |
| C23 | C24 | N19 | H13 | 119.0° | 118.8° |
| C23 | C24 | N19 | C21 | 29.7° | 24.1° |
| C23 | C24 | N19 | C17 | 173.8° | 146.4° |
| C24 | C23 | C22 | H8 | 135.4° | 82.7° |
| C24 | C23 | C22 | H9 | 104.0° | 154.1° |
| C24 | C23 | H10 | H11 | 122.2° | 123.9° |
| C23 | C24 | H12 | H13 | 122.7° | 122.3° |
| C22 | C21 | N19 | C24 | 19.6° | 1.0° |
| C22 | C21 | N19 | H6 | 119.1° | 119.4° |
| C22 | C21 | N19 | H7 | 119.1° | 119.6° |
| C22 | C21 | N19 | C17 | 162.4° | 123.2° |
| C22 | C21 | H6 | H7 | 122.5° | 121.2° |
| C21 | C22 | H8 | H9 | 120.8° | 123.1° |
| C21 | C22 | C23 | H10 | 134.9° | 153.8° |
| C21 | C22 | C23 | H11 | 103.6° | 82.5° |
| C24 | N19 | C21 | C17 | 142.9° | 122.2° |
| C24 | N19 | C17 | N16 | 14.6° | 120.9° |
| C24 | N19 | C17 | N18 | 167.4° | 58.9° |
| C24 | N19 | C21 | H6 | 138.7° | 120.4° |
| C24 | N19 | C21 | H7 | 99.5° | 118.6° |
| N19 | C24 | C23 | H10 | 145.7° | 155.1° |
| N19 | C24 | C23 | H11 | 92.8° | 81.0° |
| N19 | C24 | H12 | H13 | 122.7° | 122.4° |
| C21 | N19 | C17 | N16 | 155.5° | 0.0° |
| C21 | N19 | C17 | N18 | 26.5° | 179.7° |
| N19 | C21 | H6 | H7 | 122.5° | 121.0° |
| N19 | C21 | C22 | H8 | 118.1° | 96.1° |
| N19 | C21 | C22 | H9 | 121.3° | 140.9° |
| C21 | N19 | C24 | H12 | 89.4° | 94.8° |
| C21 | N19 | C24 | H13 | 148.8° | 142.9° |
| N19 | C17 | N16 | N18 | 178.1° | 179.8° |
| N19 | C17 | N16 | N15 | 178.6° | 179.7° |
| N19 | C17 | N18 | C14 | 177.9° | 179.8° |
| C17 | N19 | C21 | H6 | 78.4° | 117.4° |
| C17 | N19 | C21 | H7 | 43.3° | 3.6° |
| C17 | N19 | C24 | H12 | 54.7° | 27.5° |
| C17 | N19 | C24 | H13 | 67.1° | 94.8° |
| N16 | C17 | N18 | C14 | 0.2° | 0.0° |
| C17 | N16 | N15 | C14 | 1.0° | 0.0° |
| C17 | N16 | N15 | C20 | 179.4° | 180.0° |
| N18 | C17 | N16 | N15 | 0.5° | 0.0° |
| C17 | N18 | C14 | N15 | 0.9° | 0.0° |
| C17 | N18 | C14 | C13 | 179.2° | 180.0° |
| N16 | N15 | C14 | N18 | 1.2° | 0.0° |
| N16 | N15 | C14 | C20 | 179.5° | 180.0° |
| N16 | N15 | C14 | C13 | 178.9° | 180.0° |
| N16 | N15 | C20 | H3 | 0.0° | 90.0° |
| N16 | N15 | C20 | H4 | 120.0° | 30.0° |
| N16 | N15 | C20 | H5 | 120.0° | 150.0° |
| N18 | C14 | N15 | C13 | 179.9° | 180.0° |
| N18 | C14 | N15 | C20 | 179.2° | 180.0° |
| N18 | C14 | C13 | C12 | 58.9° | 90.0° |
| N18 | C14 | C13 | H1 | 60.4° | 150.0° |
| N18 | C14 | C13 | H2 | 178.2° | 30.0° |
| N15 | C14 | C13 | C12 | 121.2° | 90.0° |
| N15 | C14 | C13 | H1 | 119.5° | 30.0° |
| N15 | C14 | C13 | H2 | 1.9° | 150.0° |
| C14 | N15 | C20 | H3 | 179.5° | 90.0° |
| C14 | N15 | C20 | H4 | 59.5° | 150.0° |
| C14 | N15 | C20 | H5 | 60.5° | 30.0° |
| C20 | N15 | C14 | C13 | 0.7° | 0.0° |
| N15 | C20 | H3 | H4 | 120.0° | 120.0° |
| N15 | C20 | H3 | H5 | 120.0° | 120.0° |
| N15 | C20 | H4 | H5 | 120.0° | 120.0° |
| C14 | C13 | C12 | H1 | 119.3° | 120.0° |
| C14 | C13 | C12 | H2 | 119.3° | 120.0° |
| C14 | C13 | C12 | C10 | 177.6° | 180.0° |
| C14 | C13 | H1 | H2 | 122.1° | 120.0° |
| C14 | C13 | C12 | H23 | 57.8° | 60.0° |
| C14 | C13 | C12 | H24 | 62.6° | 59.9° |
| C13 | C12 | C10 | H23 | 119.8° | 120.0° |
| C13 | C12 | C10 | H24 | 119.8° | 120.0° |
| C13 | C12 | C10 | N9 | 108.6° | 90.0° |
| C13 | C12 | C10 | N11 | 70.5° | 90.3° |
| C12 | C13 | H1 | H2 | 122.1° | 120.0° |
| C13 | C12 | H23 | H24 | 120.6° | 119.9° |
| C12 | C10 | N9 | N11 | 179.3° | 179.8° |
| C12 | C10 | N9 | C8 | 179.9° | 179.7° |
| C12 | C10 | N11 | N7 | 179.3° | 179.8° |
| C10 | C12 | C13 | H1 | 63.1° | 60.0° |
| C10 | C12 | C13 | H2 | 58.3° | 60.0° |
| C10 | C12 | H23 | H24 | 120.6° | 120.0° |
| N9 | C10 | N11 | N7 | 0.1° | 0.1° |
| C10 | N9 | C8 | N7 | 0.9° | 0.0° |
| C10 | N9 | C8 | C3 | 179.2° | 180.0° |
| N9 | C10 | C12 | H23 | 11.2° | 150.0° |
| N9 | C10 | C12 | H24 | 131.6° | 30.1° |
| N11 | C10 | N9 | C8 | 0.7° | 0.1° |
| C10 | N11 | N7 | C8 | 0.5° | 0.0° |
| C10 | N11 | N7 | C4 | 178.3° | 179.9° |
| N11 | C10 | C12 | H23 | 169.6° | 29.7° |
| N11 | C10 | C12 | H24 | 49.2° | 149.7° |
| N9 | C8 | N7 | N11 | 0.9° | 0.0° |
| N9 | C8 | N7 | C3 | 179.9° | 180.0° |
| N9 | C8 | N7 | C4 | 178.0° | 179.9° |
| N9 | C8 | C3 | C6 | 0.6° | 0.0° |
| N9 | C8 | C3 | C2 | 178.1° | 180.0° |
| N11 | N7 | C8 | C4 | 178.9° | 179.9° |
| N11 | N7 | C8 | C3 | 179.2° | 180.0° |
| N11 | N7 | C4 | C5 | 1.4° | 0.1° |
| N11 | N7 | C4 | N1 | 179.5° | 180.0° |
| N7 | C8 | C3 | C6 | 179.3° | 180.0° |
| N7 | C8 | C3 | C2 | 1.8° | 0.0° |
| C8 | N7 | C4 | C5 | 179.9° | 180.0° |
| C8 | N7 | C4 | N1 | 1.8° | 0.1° |
| C3 | C8 | N7 | C4 | 1.9° | 0.1° |
| C8 | C3 | C6 | C25 | 135.9° | 85.0° |
| C8 | C3 | C6 | C2 | 177.3° | 180.0° |
| C8 | C3 | C2 | N1 | 1.7° | 0.1° |
| C8 | C3 | C2 | H17 | 178.3° | 180.0° |
| C8 | C3 | C6 | H21 | 16.5° | 155.0° |
| C8 | C3 | C6 | H22 | 104.7° | 35.0° |
| N7 | C4 | C5 | N1 | 178.1° | 179.9° |
| N7 | C4 | N1 | C2 | 1.7° | 0.0° |
| N7 | C4 | C5 | H18 | 178.1° | 179.9° |
| N7 | C4 | C5 | H19 | 58.1° | 60.0° |
| N7 | C4 | C5 | H20 | 61.9° | 60.1° |
| C25 | C6 | C3 | H21 | 119.4° | 120.0° |
| C25 | C6 | C3 | H22 | 119.4° | 120.1° |
| C25 | C6 | C3 | C2 | 46.8° | 95.0° |
| C6 | C25 | H14 | H15 | 120.0° | 120.0° |
| C6 | C25 | H14 | H16 | 120.0° | 120.1° |
| C6 | C25 | H15 | H16 | 120.0° | 120.0° |
| C25 | C6 | H21 | H22 | 121.8° | 120.0° |
| C6 | C3 | C2 | N1 | 179.1° | 179.9° |
| C3 | C6 | C25 | H14 | 180.0° | 60.0° |
| C3 | C6 | C25 | H15 | 60.0° | 60.0° |
| C3 | C6 | C25 | H16 | 60.0° | 180.0° |
| C6 | C3 | C2 | H17 | 0.9° | 0.0° |
| C3 | C6 | H21 | H22 | 121.8° | 120.0° |
| C3 | C2 | N1 | C4 | 1.7° | 0.1° |
| C3 | C2 | N1 | H17 | 180.0° | 179.9° |
| C2 | C3 | C6 | H21 | 166.2° | 25.0° |
| C2 | C3 | C6 | H22 | 72.7° | 144.9° |
| C5 | C4 | N1 | C2 | 179.8° | 179.9° |
| C4 | C5 | H18 | H19 | 120.0° | 120.0° |
| C4 | C5 | H18 | H20 | 120.0° | 120.0° |
| C4 | C5 | H19 | H20 | 120.0° | 120.0° |
| C4 | N1 | C2 | H17 | 178.3° | 180.0° |
| N1 | C4 | C5 | H18 | 0.0° | 0.0° |
| N1 | C4 | C5 | H19 | 120.0° | 120.0° |
| N1 | C4 | C5 | H20 | 120.0° | 120.0° |
| H1 | C13 | C12 | H23 | 177.1° | 180.0° |
| H1 | C13 | C12 | H24 | 56.7° | 60.0° |
| H2 | C13 | C12 | H23 | 61.5° | 60.0° |
| H2 | C13 | C12 | H24 | 178.1° | 179.9° |
| H3 | C20 | H4 | H5 | 119.9° | 120.0° |
| H6 | C21 | C22 | H8 | 1.0° | 144.5° |
| H6 | C21 | C22 | H9 | 119.5° | 21.5° |
| H7 | C21 | C22 | H8 | 122.8° | 23.4° |
| H7 | C21 | C22 | H9 | 2.2° | 99.6° |
| H8 | C22 | C23 | H10 | 105.4° | 35.4° |
| H8 | C22 | C23 | H11 | 16.1° | 159.2° |
| H9 | C22 | C23 | H10 | 15.2° | 87.8° |
| H9 | C22 | C23 | H11 | 136.7° | 36.0° |
| H10 | C23 | C24 | H12 | 26.6° | 36.3° |
| H10 | C23 | C24 | H13 | 95.3° | 86.0° |
| H11 | C23 | C24 | H12 | 148.1° | 160.1° |
| H11 | C23 | C24 | H13 | 26.3° | 37.8° |
| H14 | C25 | H15 | H16 | 120.0° | 120.0° |
| H14 | C25 | C6 | H21 | 60.6° | 60.1° |
| H14 | C25 | C6 | H22 | 60.6° | 180.0° |
| H15 | C25 | C6 | H21 | 59.4° | 180.0° |
| H15 | C25 | C6 | H22 | 179.4° | 60.1° |
| H16 | C25 | C6 | H21 | 179.4° | 60.0° |
| H16 | C25 | C6 | H22 | 59.4° | 59.9° |
| H18 | C5 | H19 | H20 | 120.0° | 120.0° |
