MXV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.43Å | Aromatic |
| C15 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | N16 | sing | 1.47Å | 1.46Å | |
| C12 | N16 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | C11 | doub | 1.41Å | 1.37Å | Aromatic |
| N16 | C17 | sing | 1.37Å | 1.33Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.43Å | Aromatic |
| C10 | C08 | sing | 1.48Å | 1.38Å | |
| C11 | C18 | sing | 1.46Å | 1.43Å | Aromatic |
| N07 | C08 | sing | 1.37Å | 1.33Å | Aromatic |
| N07 | C05 | sing | 1.38Å | 1.36Å | Aromatic |
| C08 | N09 | doub | 1.31Å | 1.34Å | Aromatic |
| C17 | C18 | doub | 1.34Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.41Å | Aromatic |
| C05 | C04 | sing | 1.41Å | 1.39Å | Aromatic |
| N09 | C04 | sing | 1.34Å | 1.35Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.41Å | 1.43Å | Aromatic |
| C01 | N02 | doub | 1.32Å | 1.34Å | Aromatic |
| C31 | O30 | sing | 1.43Å | 1.41Å | |
| C03 | N02 | sing | 1.33Å | 1.33Å | Aromatic |
| C03 | C20 | sing | 1.48Å | 1.39Å | |
| C21 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| O30 | C22 | sing | 1.36Å | 1.41Å | |
| C22 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | O28 | sing | 1.36Å | 1.39Å | |
| C24 | O26 | sing | 1.36Å | 1.39Å | |
| O28 | C29 | sing | 1.43Å | 1.39Å | |
| O26 | C27 | sing | 1.43Å | 1.38Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C25 | H10 | sing | 1.08Å | 1.08Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C01 | H20 | sing | 1.08Å | 1.08Å | |
| C06 | H21 | sing | 1.08Å | 1.08Å | |
| N07 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C15 | 118.2° | 120.9° |
| C14 | C13 | C12 | 122.5° | 120.3° |
| C14 | C13 | H1 | 118.7° | 119.9° |
| C13 | C14 | H2 | 120.9° | 119.5° |
| C14 | C15 | C10 | 119.6° | 120.2° |
| C15 | C14 | H2 | 120.9° | 119.6° |
| C14 | C15 | H3 | 120.2° | 119.9° |
| C13 | C12 | N16 | 131.9° | 133.4° |
| C13 | C12 | C11 | 119.2° | 119.5° |
| C12 | C13 | H1 | 118.7° | 119.9° |
| C15 | C10 | C11 | 121.9° | 119.4° |
| C15 | C10 | C08 | 118.6° | 120.3° |
| C10 | C15 | H3 | 120.2° | 119.9° |
| C19 | N16 | C12 | 123.9° | 125.1° |
| C19 | N16 | C17 | 125.3° | 125.1° |
| N16 | C19 | H6 | 109.5° | 109.5° |
| N16 | C19 | H7 | 109.5° | 109.5° |
| N16 | C19 | H8 | 109.4° | 109.5° |
| N16 | C12 | C11 | 108.9° | 107.1° |
| C12 | N16 | C17 | 110.8° | 109.9° |
| C12 | C11 | C10 | 118.5° | 119.8° |
| C12 | C11 | C18 | 105.3° | 106.2° |
| N16 | C17 | C18 | 106.9° | 109.9° |
| N16 | C17 | H4 | 126.6° | 125.0° |
| C11 | C10 | C08 | 119.5° | 120.3° |
| C10 | C11 | C18 | 136.1° | 134.0° |
| C10 | C08 | N07 | 123.1° | 125.2° |
| C10 | C08 | N09 | 126.4° | 125.2° |
| C11 | C18 | C17 | 108.0° | 107.0° |
| C11 | C18 | H5 | 126.0° | 126.5° |
| C08 | N07 | C05 | 106.5° | 107.1° |
| N07 | C08 | N09 | 110.4° | 109.6° |
| C08 | N07 | H22 | 126.7° | 126.5° |
| N07 | C05 | C06 | 133.1° | 135.0° |
| N07 | C05 | C04 | 108.6° | 106.3° |
| C05 | N07 | H22 | 126.7° | 126.5° |
| C08 | N09 | C04 | 108.3° | 109.7° |
| C18 | C17 | H4 | 126.5° | 125.1° |
| C17 | C18 | H5 | 126.0° | 126.6° |
| C06 | C05 | C04 | 118.3° | 118.7° |
| C05 | C06 | C01 | 118.3° | 119.1° |
| C05 | C06 | H21 | 120.9° | 120.4° |
| C05 | C04 | N09 | 106.2° | 107.3° |
| C05 | C04 | C03 | 120.1° | 118.5° |
| N09 | C04 | C03 | 133.7° | 134.2° |
| C06 | C01 | N02 | 123.1° | 121.4° |
| C06 | C01 | H20 | 118.4° | 119.3° |
| C01 | C06 | H21 | 120.8° | 120.5° |
| C04 | C03 | N02 | 119.7° | 120.1° |
| C04 | C03 | C20 | 124.1° | 120.0° |
| C01 | N02 | C03 | 120.5° | 122.3° |
| N02 | C01 | H20 | 118.4° | 119.3° |
| C31 | O30 | C22 | 111.2° | 117.0° |
| O30 | C31 | H17 | 109.5° | 109.5° |
| O30 | C31 | H18 | 109.5° | 109.5° |
| O30 | C31 | H19 | 109.4° | 109.5° |
| N02 | C03 | C20 | 116.1° | 119.9° |
| C03 | C20 | C21 | 120.3° | 120.0° |
| C03 | C20 | C25 | 121.0° | 120.1° |
| C20 | C21 | C22 | 121.5° | 119.9° |
| C21 | C20 | C25 | 118.7° | 119.9° |
| C20 | C21 | H9 | 119.3° | 120.1° |
| C21 | C22 | O30 | 122.1° | 120.0° |
| C21 | C22 | C23 | 118.7° | 120.1° |
| C22 | C21 | H9 | 119.3° | 120.0° |
| C20 | C25 | C24 | 119.7° | 120.0° |
| C20 | C25 | H10 | 120.2° | 120.0° |
| O30 | C22 | C23 | 119.3° | 120.0° |
| C22 | C23 | C24 | 120.2° | 120.1° |
| C22 | C23 | O28 | 118.7° | 119.9° |
| C25 | C24 | C23 | 121.2° | 120.0° |
| C25 | C24 | O26 | 121.3° | 120.0° |
| C24 | C25 | H10 | 120.2° | 120.0° |
| C24 | C23 | O28 | 121.1° | 120.0° |
| C23 | C24 | O26 | 117.5° | 120.0° |
| C23 | O28 | C29 | 116.0° | 117.0° |
| C24 | O26 | C27 | 114.7° | 117.0° |
| O28 | C29 | H14 | 109.5° | 109.5° |
| O28 | C29 | H15 | 109.5° | 109.5° |
| O28 | C29 | H16 | 109.5° | 109.5° |
| O26 | C27 | H11 | 109.5° | 109.4° |
| O26 | C27 | H12 | 109.4° | 109.5° |
| O26 | C27 | H13 | 109.5° | 109.5° |
| H6 | C19 | H7 | 109.5° | 109.5° |
| H6 | C19 | H8 | 109.5° | 109.4° |
| H7 | C19 | H8 | 109.5° | 109.5° |
| H11 | C27 | H12 | 109.5° | 109.5° |
| H11 | C27 | H13 | 109.5° | 109.5° |
| H12 | C27 | H13 | 109.5° | 109.4° |
| H14 | C29 | H15 | 109.4° | 109.5° |
| H14 | C29 | H16 | 109.4° | 109.5° |
| H15 | C29 | H16 | 109.5° | 109.4° |
| H17 | C31 | H18 | 109.4° | 109.4° |
| H17 | C31 | H19 | 109.5° | 109.5° |
| H18 | C31 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C15 | H2 | 180.0° | 179.7° |
| C14 | C13 | C12 | H1 | 180.0° | 179.9° |
| C13 | C14 | C15 | C10 | 1.3° | 0.5° |
| C14 | C13 | C12 | N16 | 179.4° | 179.9° |
| C14 | C13 | C12 | C11 | 2.7° | 0.0° |
| C13 | C14 | C15 | H3 | 178.7° | 180.0° |
| C15 | C14 | C13 | C12 | 2.8° | 0.3° |
| C14 | C15 | C10 | H3 | 180.0° | 179.5° |
| C14 | C15 | C10 | C11 | 0.3° | 0.5° |
| C14 | C15 | C10 | C08 | 178.6° | 179.8° |
| C15 | C14 | C13 | H1 | 177.2° | 179.8° |
| C13 | C12 | N16 | C19 | 2.4° | 0.1° |
| C13 | C12 | N16 | C11 | 178.0° | 179.9° |
| C13 | C12 | N16 | C17 | 177.9° | 180.0° |
| C13 | C12 | C11 | C10 | 1.1° | 0.0° |
| C13 | C12 | C11 | C18 | 178.3° | 179.9° |
| C12 | C13 | C14 | H2 | 177.2° | 180.0° |
| C15 | C10 | C11 | C12 | 0.4° | 0.2° |
| C15 | C10 | C11 | C08 | 178.3° | 179.7° |
| C15 | C10 | C11 | C18 | 179.4° | 179.8° |
| C15 | C10 | C08 | N07 | 27.2° | 0.6° |
| C15 | C10 | C08 | N09 | 156.1° | 179.7° |
| C10 | C15 | C14 | H2 | 178.7° | 179.7° |
| C19 | N16 | C12 | C17 | 179.7° | 179.9° |
| C19 | N16 | C12 | C11 | 179.6° | 180.0° |
| C19 | N16 | C17 | C18 | 179.5° | 180.0° |
| C19 | N16 | C17 | H4 | 0.4° | 0.1° |
| N16 | C19 | H6 | H7 | 120.0° | 120.1° |
| N16 | C19 | H6 | H8 | 120.0° | 120.0° |
| N16 | C19 | H7 | H8 | 120.0° | 120.0° |
| N16 | C12 | C11 | C10 | 179.4° | 180.0° |
| N16 | C12 | C11 | C18 | 0.1° | 0.0° |
| C12 | N16 | C17 | C18 | 0.2° | 0.0° |
| N16 | C12 | C13 | H1 | 0.6° | 0.0° |
| C12 | N16 | C17 | H4 | 179.8° | 180.0° |
| C12 | N16 | C19 | H6 | 180.0° | 90.0° |
| C12 | N16 | C19 | H7 | 60.0° | 150.0° |
| C12 | N16 | C19 | H8 | 60.0° | 30.0° |
| C11 | C12 | N16 | C17 | 0.2° | 0.0° |
| C12 | C11 | C10 | C18 | 179.0° | 180.0° |
| C12 | C11 | C10 | C08 | 178.7° | 180.0° |
| C12 | C11 | C18 | C17 | 0.1° | 0.0° |
| C11 | C12 | C13 | H1 | 177.3° | 179.9° |
| C12 | C11 | C18 | H5 | 179.9° | 180.0° |
| N16 | C17 | C18 | C11 | 0.2° | 0.0° |
| N16 | C17 | C18 | H4 | 180.0° | 179.9° |
| N16 | C17 | C18 | H5 | 179.9° | 180.0° |
| C17 | N16 | C19 | H6 | 0.3° | 90.1° |
| C17 | N16 | C19 | H7 | 119.7° | 29.9° |
| C17 | N16 | C19 | H8 | 120.3° | 150.0° |
| C11 | C10 | C08 | N07 | 151.1° | 179.1° |
| C11 | C10 | C08 | N09 | 25.6° | 0.0° |
| C10 | C11 | C18 | C17 | 179.1° | 180.0° |
| C11 | C10 | C15 | H3 | 179.7° | 180.0° |
| C10 | C11 | C18 | H5 | 0.9° | 0.1° |
| C08 | C10 | C11 | C18 | 2.3° | 0.1° |
| C10 | C08 | N07 | N09 | 177.2° | 179.2° |
| C10 | C08 | N07 | C05 | 178.4° | 180.0° |
| C10 | C08 | N09 | C04 | 178.4° | 180.0° |
| C08 | C10 | C15 | H3 | 1.4° | 0.3° |
| C10 | C08 | N07 | H22 | 1.6° | 0.8° |
| C11 | C18 | C17 | H5 | 180.0° | 179.9° |
| C11 | C18 | C17 | H4 | 179.9° | 180.0° |
| C08 | N07 | C05 | H22 | 180.0° | 179.2° |
| C08 | N07 | C05 | C06 | 179.8° | 180.0° |
| C08 | N07 | C05 | C04 | 0.6° | 0.5° |
| N07 | C08 | N09 | C04 | 1.4° | 0.7° |
| C05 | N07 | C08 | N09 | 1.2° | 0.8° |
| N07 | C05 | C06 | C04 | 179.2° | 179.4° |
| N07 | C05 | C04 | N09 | 0.2° | 0.1° |
| N07 | C05 | C06 | C01 | 179.7° | 180.0° |
| N07 | C05 | C04 | C03 | 179.4° | 179.7° |
| N07 | C05 | C06 | H21 | 0.3° | 0.0° |
| C08 | N09 | C04 | C05 | 1.0° | 0.4° |
| C08 | N09 | C04 | C03 | 178.7° | 179.1° |
| N09 | C08 | N07 | H22 | 178.8° | 180.0° |
| C06 | C05 | C04 | N09 | 179.1° | 179.7° |
| C05 | C06 | C01 | H21 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 1.2° | 0.8° |
| C05 | C06 | C01 | N02 | 1.2° | 0.0° |
| C05 | C06 | C01 | H20 | 178.8° | 179.8° |
| C06 | C05 | N07 | H22 | 0.2° | 0.8° |
| C05 | C04 | N09 | C03 | 179.6° | 179.5° |
| C04 | C05 | C06 | C01 | 1.1° | 0.5° |
| C05 | C04 | C03 | N02 | 1.3° | 0.5° |
| C05 | C04 | C03 | C20 | 177.2° | 179.5° |
| C04 | C05 | C06 | H21 | 178.9° | 179.4° |
| C04 | C05 | N07 | H22 | 179.4° | 179.7° |
| N09 | C04 | C03 | N02 | 179.1° | 179.9° |
| N09 | C04 | C03 | C20 | 2.4° | 0.0° |
| C06 | C01 | N02 | H20 | 180.0° | 179.8° |
| C06 | C01 | N02 | C03 | 1.4° | 0.3° |
| C04 | C03 | N02 | C01 | 1.4° | 0.0° |
| C04 | C03 | N02 | C20 | 178.7° | 180.0° |
| C04 | C03 | C20 | C21 | 37.1° | 34.7° |
| C04 | C03 | C20 | C25 | 143.5° | 145.0° |
| C01 | N02 | C03 | C20 | 177.3° | 180.0° |
| N02 | C01 | C06 | H21 | 178.8° | 179.9° |
| C31 | O30 | C22 | C21 | 2.5° | 0.1° |
| C31 | O30 | C22 | C23 | 177.8° | 180.0° |
| O30 | C31 | H17 | H18 | 120.0° | 120.0° |
| O30 | C31 | H17 | H19 | 120.0° | 120.0° |
| O30 | C31 | H18 | H19 | 120.0° | 120.0° |
| N02 | C03 | C20 | C21 | 141.5° | 145.3° |
| N02 | C03 | C20 | C25 | 38.0° | 35.0° |
| C03 | N02 | C01 | H20 | 178.6° | 180.0° |
| C03 | C20 | C21 | C25 | 179.5° | 179.7° |
| C03 | C20 | C21 | C22 | 179.4° | 179.7° |
| C03 | C20 | C25 | C24 | 177.2° | 179.7° |
| C03 | C20 | C21 | H9 | 0.7° | 0.3° |
| C03 | C20 | C25 | H10 | 2.8° | 0.2° |
| C20 | C21 | C22 | H9 | 180.0° | 180.0° |
| C20 | C21 | C22 | O30 | 179.1° | 180.0° |
| C20 | C21 | C22 | C23 | 1.3° | 0.0° |
| C21 | C20 | C25 | C24 | 2.3° | 0.0° |
| C21 | C20 | C25 | H10 | 177.7° | 179.9° |
| C22 | C21 | C20 | C25 | 0.1° | 0.0° |
| C21 | C22 | O30 | C23 | 179.7° | 180.0° |
| C21 | C22 | C23 | C24 | 0.5° | 0.0° |
| C21 | C22 | C23 | O28 | 179.3° | 180.0° |
| C20 | C25 | C24 | H10 | 180.0° | 180.0° |
| C20 | C25 | C24 | C23 | 3.1° | 0.0° |
| C20 | C25 | C24 | O26 | 179.4° | 179.9° |
| C25 | C20 | C21 | H9 | 179.9° | 180.0° |
| O30 | C22 | C23 | C24 | 179.8° | 180.0° |
| O30 | C22 | C23 | O28 | 0.3° | 0.0° |
| O30 | C22 | C21 | H9 | 0.9° | 0.1° |
| C22 | O30 | C31 | H17 | 180.0° | 180.0° |
| C22 | O30 | C31 | H18 | 60.0° | 60.0° |
| C22 | O30 | C31 | H19 | 60.0° | 60.0° |
| C22 | C23 | C24 | C25 | 1.7° | 0.0° |
| C22 | C23 | C24 | O28 | 179.8° | 180.0° |
| C22 | C23 | C24 | O26 | 179.3° | 179.9° |
| C22 | C23 | O28 | C29 | 95.0° | 90.0° |
| C23 | C22 | C21 | H9 | 178.7° | 180.0° |
| C25 | C24 | C23 | O26 | 177.6° | 179.9° |
| C25 | C24 | C23 | O28 | 178.5° | 180.0° |
| C25 | C24 | O26 | C27 | 15.7° | 0.1° |
| C24 | C23 | O28 | C29 | 85.2° | 89.9° |
| C23 | C24 | O26 | C27 | 161.8° | 180.0° |
| C23 | C24 | C25 | H10 | 176.9° | 180.0° |
| O28 | C23 | C24 | O26 | 0.9° | 0.1° |
| C23 | O28 | C29 | H14 | 180.0° | 60.1° |
| C23 | O28 | C29 | H15 | 60.0° | 60.0° |
| C23 | O28 | C29 | H16 | 60.0° | 179.9° |
| O26 | C24 | C25 | H10 | 0.6° | 0.1° |
| C24 | O26 | C27 | H11 | 180.0° | 60.1° |
| C24 | O26 | C27 | H12 | 60.0° | 179.9° |
| C24 | O26 | C27 | H13 | 60.0° | 60.0° |
| O28 | C29 | H14 | H15 | 120.0° | 120.0° |
| O28 | C29 | H14 | H16 | 120.0° | 120.0° |
| O28 | C29 | H15 | H16 | 120.0° | 120.0° |
| O26 | C27 | H11 | H12 | 120.0° | 120.0° |
| O26 | C27 | H11 | H13 | 120.0° | 120.1° |
| O26 | C27 | H12 | H13 | 120.0° | 120.0° |
| H1 | C13 | C14 | H2 | 2.8° | 0.0° |
| H2 | C14 | C15 | H3 | 1.3° | 0.2° |
| H4 | C17 | C18 | H5 | 0.1° | 0.1° |
| H6 | C19 | H7 | H8 | 120.0° | 120.0° |
| H11 | C27 | H12 | H13 | 120.0° | 120.0° |
| H14 | C29 | H15 | H16 | 120.0° | 120.0° |
| H17 | C31 | H18 | H19 | 120.0° | 120.0° |
| H20 | C01 | C06 | H21 | 1.2° | 0.3° |
