0MN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.45Å | |
| O1 | C2 | sing | 1.36Å | 1.39Å | |
| C2 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | O2 | sing | 1.36Å | 1.39Å | |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| O3 | C8 | doub | 1.21Å | 1.29Å | |
| O2 | C7 | sing | 1.43Å | 1.46Å | |
| C4 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.48Å | |
| C8 | N1 | sing | 1.35Å | 1.32Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| N1 | C9 | sing | 1.40Å | 1.35Å | |
| C17 | C16 | doub | 1.41Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.36Å | 1.41Å | Aromatic |
| N2 | C16 | sing | 1.34Å | 1.40Å | Aromatic |
| N2 | C15 | doub | 1.29Å | 1.37Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.43Å | Aromatic |
| C16 | C21 | sing | 1.40Å | 1.43Å | Aromatic |
| C12 | C15 | sing | 1.48Å | 1.40Å | |
| C12 | C11 | doub | 1.40Å | 1.37Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | S | sing | 1.76Å | 1.77Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | S | sing | 1.76Å | 1.65Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 120.8° | 117.0° |
| O1 | C1 | H7 | 109.5° | 109.4° |
| O1 | C1 | H8 | 109.5° | 109.5° |
| O1 | C1 | H9 | 109.4° | 109.5° |
| O1 | C2 | C22 | 115.7° | 120.0° |
| O1 | C2 | C3 | 121.7° | 120.0° |
| C22 | C2 | C3 | 122.6° | 120.0° |
| C2 | C22 | C6 | 121.3° | 119.9° |
| C2 | C22 | H6 | 119.3° | 120.1° |
| C2 | C3 | C4 | 114.8° | 120.0° |
| C2 | C3 | H5 | 122.6° | 120.0° |
| C22 | C6 | O2 | 119.0° | 120.0° |
| C22 | C6 | C5 | 117.8° | 119.9° |
| C6 | C22 | H6 | 119.4° | 120.0° |
| C3 | C4 | C5 | 122.2° | 120.1° |
| C3 | C4 | H4 | 118.9° | 119.9° |
| C4 | C3 | H5 | 122.6° | 120.0° |
| O2 | C6 | C5 | 123.0° | 120.0° |
| C6 | O2 | C7 | 119.9° | 117.0° |
| C6 | C5 | C4 | 120.9° | 120.0° |
| C6 | C5 | H3 | 119.6° | 120.0° |
| O3 | C8 | C7 | 121.5° | 120.0° |
| O3 | C8 | N1 | 125.5° | 120.0° |
| O2 | C7 | C8 | 108.6° | 109.5° |
| O2 | C7 | H1 | 109.7° | 109.4° |
| O2 | C7 | H2 | 109.7° | 109.5° |
| C4 | C5 | H3 | 119.5° | 120.0° |
| C5 | C4 | H4 | 118.9° | 119.9° |
| C7 | C8 | N1 | 112.9° | 120.0° |
| C8 | C7 | H1 | 109.7° | 109.5° |
| C8 | C7 | H2 | 109.7° | 109.5° |
| C8 | N1 | C9 | 127.2° | 120.0° |
| C8 | N1 | H10 | 116.4° | 120.0° |
| C13 | C14 | C9 | 116.4° | 120.1° |
| C14 | C13 | C12 | 124.3° | 119.9° |
| C13 | C14 | H11 | 121.8° | 119.9° |
| C14 | C13 | H12 | 117.8° | 120.1° |
| C14 | C9 | N1 | 122.5° | 119.9° |
| C14 | C9 | C10 | 119.6° | 120.1° |
| C9 | C14 | H11 | 121.8° | 120.0° |
| C13 | C12 | C15 | 118.6° | 120.1° |
| C13 | C12 | C11 | 119.8° | 119.8° |
| C12 | C13 | H12 | 117.9° | 120.0° |
| N1 | C9 | C10 | 117.8° | 119.9° |
| C9 | N1 | H10 | 116.4° | 120.0° |
| C16 | C17 | C18 | 121.3° | 120.5° |
| C17 | C16 | N2 | 130.6° | 128.8° |
| C17 | C16 | C21 | 118.5° | 118.4° |
| C16 | C17 | H18 | 119.3° | 119.7° |
| C17 | C18 | C19 | 118.8° | 120.8° |
| C17 | C18 | H17 | 120.6° | 119.6° |
| C18 | C17 | H18 | 119.3° | 119.8° |
| C16 | N2 | C15 | 114.3° | 117.9° |
| N2 | C16 | C21 | 110.9° | 112.9° |
| N2 | C15 | C12 | 128.9° | 124.8° |
| N2 | C15 | S | 109.5° | 110.4° |
| C9 | C10 | C11 | 122.7° | 120.1° |
| C9 | C10 | H14 | 118.6° | 119.9° |
| C16 | C21 | S | 112.8° | 108.4° |
| C16 | C21 | C20 | 121.2° | 120.3° |
| C15 | C12 | C11 | 121.6° | 120.1° |
| C12 | C15 | S | 121.6° | 124.8° |
| C12 | C11 | C10 | 117.0° | 119.9° |
| C12 | C11 | H13 | 121.5° | 120.0° |
| C18 | C19 | C20 | 121.6° | 120.0° |
| C18 | C19 | H16 | 119.2° | 120.0° |
| C19 | C18 | H17 | 120.6° | 119.6° |
| C15 | S | C21 | 92.4° | 90.4° |
| C10 | C11 | H13 | 121.5° | 120.0° |
| C11 | C10 | H14 | 118.7° | 120.0° |
| S | C21 | C20 | 126.0° | 131.3° |
| C21 | C20 | C19 | 118.5° | 120.1° |
| C21 | C20 | H15 | 120.7° | 120.0° |
| C19 | C20 | H15 | 120.7° | 119.9° |
| C20 | C19 | H16 | 119.2° | 120.0° |
| H1 | C7 | H2 | 109.4° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H7 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C22 | 176.6° | 180.0° |
| C1 | O1 | C2 | C3 | 6.0° | 0.5° |
| O1 | C1 | H7 | H8 | 120.0° | 120.0° |
| O1 | C1 | H7 | H9 | 120.0° | 120.0° |
| O1 | C1 | H8 | H9 | 119.9° | 120.0° |
| O1 | C2 | C22 | C3 | 177.4° | 179.5° |
| O1 | C2 | C22 | C6 | 176.3° | 180.0° |
| O1 | C2 | C3 | C4 | 178.2° | 179.7° |
| O1 | C2 | C3 | H5 | 1.8° | 0.3° |
| O1 | C2 | C22 | H6 | 3.7° | 0.3° |
| C2 | O1 | C1 | H7 | 180.0° | 60.0° |
| C2 | O1 | C1 | H8 | 60.0° | 60.0° |
| C2 | O1 | C1 | H9 | 60.0° | 180.0° |
| C2 | C22 | C6 | H6 | 180.0° | 179.7° |
| C22 | C2 | C3 | C4 | 1.0° | 0.2° |
| C2 | C22 | C6 | O2 | 179.5° | 179.7° |
| C2 | C22 | C6 | C5 | 5.5° | 0.5° |
| C22 | C2 | C3 | H5 | 179.0° | 179.7° |
| C3 | C2 | C22 | C6 | 1.1° | 0.5° |
| C2 | C3 | C4 | H5 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.5° | 0.1° |
| C2 | C3 | C4 | H4 | 178.5° | 179.9° |
| C3 | C2 | C22 | H6 | 178.9° | 179.7° |
| C22 | C6 | O2 | C5 | 174.7° | 179.8° |
| C22 | C6 | O2 | C7 | 165.5° | 179.7° |
| C22 | C6 | C5 | C4 | 7.9° | 0.2° |
| C22 | C6 | C5 | H3 | 172.1° | 179.7° |
| C3 | C4 | C5 | C6 | 6.1° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 179.8° |
| C3 | C4 | C5 | H3 | 173.9° | 180.0° |
| O2 | C6 | C5 | C4 | 177.3° | 180.0° |
| C6 | O2 | C7 | C8 | 163.9° | 180.0° |
| C6 | O2 | C7 | H1 | 76.2° | 60.0° |
| C6 | O2 | C7 | H2 | 44.0° | 60.0° |
| O2 | C6 | C5 | H3 | 2.6° | 0.1° |
| O2 | C6 | C22 | H6 | 0.5° | 0.0° |
| C5 | C6 | O2 | C7 | 9.3° | 0.1° |
| C6 | C5 | C4 | H3 | 180.0° | 179.9° |
| C6 | C5 | C4 | H4 | 173.9° | 179.9° |
| C5 | C6 | C22 | H6 | 174.5° | 179.8° |
| O3 | C8 | C7 | O2 | 2.5° | 0.0° |
| O3 | C8 | C7 | N1 | 175.9° | 179.7° |
| O3 | C8 | N1 | C9 | 30.3° | 4.6° |
| O3 | C8 | C7 | H1 | 122.4° | 119.9° |
| O3 | C8 | C7 | H2 | 117.4° | 120.0° |
| O3 | C8 | N1 | H10 | 149.7° | 175.4° |
| O2 | C7 | C8 | H1 | 119.9° | 120.0° |
| O2 | C7 | C8 | H2 | 119.9° | 120.0° |
| O2 | C7 | C8 | N1 | 173.4° | 179.7° |
| O2 | C7 | H1 | H2 | 120.3° | 120.0° |
| C5 | C4 | C3 | H5 | 178.5° | 179.9° |
| C7 | C8 | N1 | C9 | 154.0° | 175.1° |
| C8 | C7 | H1 | H2 | 120.4° | 120.0° |
| C7 | C8 | N1 | H10 | 26.0° | 4.9° |
| C8 | N1 | C9 | C14 | 23.0° | 35.4° |
| C8 | N1 | C9 | H10 | 180.0° | 180.0° |
| C8 | N1 | C9 | C10 | 158.3° | 144.9° |
| N1 | C8 | C7 | H1 | 53.5° | 59.7° |
| N1 | C8 | C7 | H2 | 66.7° | 60.3° |
| C13 | C14 | C9 | H11 | 180.0° | 179.9° |
| C14 | C13 | C12 | H12 | 180.0° | 179.9° |
| C13 | C14 | C9 | N1 | 178.3° | 180.0° |
| C13 | C14 | C9 | C10 | 3.0° | 0.2° |
| C14 | C13 | C12 | C15 | 178.8° | 179.9° |
| C14 | C13 | C12 | C11 | 0.5° | 0.1° |
| C9 | C14 | C13 | C12 | 2.9° | 0.1° |
| C14 | C9 | N1 | C10 | 178.7° | 179.7° |
| C14 | C9 | C10 | C11 | 0.9° | 0.5° |
| C14 | C9 | N1 | H10 | 157.0° | 144.7° |
| C9 | C14 | C13 | H12 | 177.1° | 180.0° |
| C14 | C9 | C10 | H14 | 179.1° | 179.7° |
| C13 | C12 | C15 | N2 | 2.3° | 0.3° |
| C13 | C12 | C15 | C11 | 178.3° | 180.0° |
| C13 | C12 | C15 | S | 176.7° | 179.9° |
| C13 | C12 | C11 | C10 | 1.7° | 0.2° |
| C12 | C13 | C14 | H11 | 177.1° | 180.0° |
| C13 | C12 | C11 | H13 | 178.2° | 180.0° |
| N1 | C9 | C10 | C11 | 179.7° | 179.7° |
| N1 | C9 | C14 | H11 | 1.7° | 0.0° |
| N1 | C9 | C10 | H14 | 0.4° | 0.0° |
| C16 | C17 | C18 | H18 | 180.0° | 179.8° |
| C17 | C16 | N2 | C21 | 177.4° | 179.7° |
| C17 | C16 | N2 | C15 | 179.3° | 179.9° |
| C16 | C17 | C18 | C19 | 1.5° | 0.2° |
| C17 | C16 | C21 | S | 176.8° | 179.9° |
| C17 | C16 | C21 | C20 | 0.8° | 0.0° |
| C16 | C17 | C18 | H17 | 178.5° | 179.9° |
| C18 | C17 | C16 | N2 | 179.0° | 179.8° |
| C18 | C17 | C16 | C21 | 1.7° | 0.1° |
| C17 | C18 | C19 | H17 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.2° | 0.1° |
| C17 | C18 | C19 | H16 | 179.8° | 180.0° |
| C16 | N2 | C15 | C12 | 177.2° | 179.8° |
| C16 | N2 | C15 | S | 3.7° | 0.4° |
| N2 | C16 | C21 | S | 1.0° | 0.2° |
| N2 | C16 | C21 | C20 | 178.6° | 179.7° |
| N2 | C16 | C17 | H18 | 1.0° | 0.3° |
| C15 | N2 | C16 | C21 | 1.9° | 0.4° |
| N2 | C15 | C12 | S | 178.9° | 179.8° |
| N2 | C15 | C12 | C11 | 176.1° | 179.7° |
| N2 | C15 | S | C21 | 3.6° | 0.2° |
| C9 | C10 | C11 | C12 | 1.5° | 0.5° |
| C9 | C10 | C11 | H14 | 180.0° | 179.7° |
| C10 | C9 | N1 | H10 | 21.7° | 35.1° |
| C10 | C9 | C14 | H11 | 177.0° | 179.7° |
| C9 | C10 | C11 | H13 | 178.4° | 179.7° |
| C16 | C21 | S | C15 | 2.6° | 0.0° |
| C16 | C21 | S | C20 | 177.5° | 180.0° |
| C16 | C21 | C20 | C19 | 0.3° | 0.1° |
| C16 | C21 | C20 | H15 | 179.7° | 180.0° |
| C21 | C16 | C17 | H18 | 178.2° | 180.0° |
| C15 | C12 | C11 | C10 | 176.6° | 179.7° |
| C12 | C15 | S | C21 | 177.3° | 180.0° |
| C15 | C12 | C13 | H12 | 1.2° | 0.0° |
| C15 | C12 | C11 | H13 | 3.5° | 0.0° |
| C11 | C12 | C15 | S | 5.0° | 0.0° |
| C12 | C11 | C10 | H13 | 180.0° | 179.7° |
| C11 | C12 | C13 | H12 | 179.5° | 180.0° |
| C12 | C11 | C10 | H14 | 178.4° | 179.7° |
| C18 | C19 | C20 | C21 | 0.6° | 0.1° |
| C18 | C19 | C20 | H16 | 180.0° | 180.0° |
| C18 | C19 | C20 | H15 | 179.3° | 179.9° |
| C19 | C18 | C17 | H18 | 178.5° | 180.0° |
| C15 | S | C21 | C20 | 179.9° | 179.9° |
| S | C21 | C20 | C19 | 177.6° | 180.0° |
| S | C21 | C20 | H15 | 2.4° | 0.1° |
| C21 | C20 | C19 | H15 | 180.0° | 179.9° |
| C21 | C20 | C19 | H16 | 179.4° | 179.9° |
| C20 | C19 | C18 | H17 | 179.7° | 180.0° |
| H3 | C5 | C4 | H4 | 6.1° | 0.2° |
| H4 | C4 | C3 | H5 | 1.5° | 0.1° |
| H7 | C1 | H8 | H9 | 120.0° | 120.0° |
| H11 | C14 | C13 | H12 | 2.9° | 0.1° |
| H13 | C11 | C10 | H14 | 1.6° | 0.0° |
| H15 | C20 | C19 | H16 | 0.7° | 0.0° |
| H16 | C19 | C18 | H17 | 0.3° | 0.0° |
| H17 | C18 | C17 | H18 | 1.5° | 0.0° |
