1OM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C20 | sing | 1.46Å | 1.45Å | |
| N1 | C11 | sing | 1.40Å | 1.34Å | |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C8 | doub | 1.38Å | 1.44Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.43Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C1 | sing | 1.51Å | 1.44Å | |
| C19 | C18 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | C14 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | C14 | sing | 1.51Å | 1.43Å | |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C18 | C17 | sing | 1.39Å | 1.45Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.43Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.44Å | Aromatic |
| C22 | N2 | sing | 1.47Å | 1.47Å | |
| C17 | N2 | sing | 1.40Å | 1.45Å | |
| C17 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| N2 | C23 | sing | 1.47Å | 1.45Å | |
| C2 | C7 | sing | 1.38Å | 1.44Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.42Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.43Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | O1 | sing | 1.36Å | 1.42Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.08Å | 1.08Å | |
| C9 | H26 | sing | 1.08Å | 1.08Å | |
| C1 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | N1 | C20 | 118.5° | 120.0° |
| C21 | N1 | C11 | 119.8° | 119.9° |
| N1 | C21 | H19 | 109.5° | 109.5° |
| N1 | C21 | H20 | 109.5° | 109.5° |
| N1 | C21 | H21 | 109.4° | 109.4° |
| C20 | N1 | C11 | 121.6° | 120.1° |
| N1 | C20 | H22 | 109.5° | 109.4° |
| N1 | C20 | H23 | 109.5° | 109.5° |
| N1 | C20 | H24 | 109.5° | 109.5° |
| N1 | C11 | C12 | 120.0° | 120.0° |
| N1 | C11 | C10 | 121.1° | 120.1° |
| C11 | C12 | C13 | 119.4° | 119.9° |
| C12 | C11 | C10 | 118.7° | 119.8° |
| C11 | C12 | H18 | 120.3° | 120.1° |
| C12 | C13 | C8 | 122.9° | 120.1° |
| C12 | C13 | H17 | 118.6° | 119.9° |
| C13 | C12 | H18 | 120.3° | 120.1° |
| C11 | C10 | C9 | 121.6° | 119.9° |
| C11 | C10 | H25 | 119.2° | 120.0° |
| C13 | C8 | C9 | 117.2° | 120.2° |
| C13 | C8 | C1 | 121.8° | 119.9° |
| C8 | C13 | H17 | 118.5° | 120.0° |
| C10 | C9 | C8 | 120.3° | 120.1° |
| C9 | C10 | H25 | 119.2° | 120.1° |
| C10 | C9 | H26 | 119.8° | 120.0° |
| C9 | C8 | C1 | 121.0° | 119.9° |
| C8 | C9 | H26 | 119.9° | 120.0° |
| C8 | C1 | C14 | 120.0° | 109.5° |
| C8 | C1 | C2 | 120.9° | 109.5° |
| C8 | C1 | H27 | 90.0° | 109.5° |
| C18 | C19 | C14 | 121.8° | 120.1° |
| C19 | C18 | C17 | 120.6° | 119.9° |
| C18 | C19 | H7 | 119.1° | 119.9° |
| C19 | C18 | H8 | 119.6° | 120.1° |
| C19 | C14 | C1 | 122.8° | 119.9° |
| C19 | C14 | C15 | 117.5° | 120.2° |
| C14 | C19 | H7 | 119.1° | 120.0° |
| C14 | C1 | C2 | 119.2° | 109.4° |
| C1 | C14 | C15 | 119.5° | 119.9° |
| C14 | C1 | H27 | 90.0° | 109.4° |
| C1 | C2 | C3 | 121.3° | 119.9° |
| C1 | C2 | C7 | 120.5° | 120.0° |
| C2 | C1 | H27 | 90.0° | 109.5° |
| C18 | C17 | N2 | 123.0° | 120.1° |
| C18 | C17 | C16 | 116.8° | 119.8° |
| C17 | C18 | H8 | 119.7° | 120.0° |
| C14 | C15 | C16 | 120.5° | 120.1° |
| C14 | C15 | H16 | 119.7° | 120.0° |
| C2 | C3 | C4 | 120.9° | 120.1° |
| C3 | C2 | C7 | 118.2° | 120.1° |
| C2 | C3 | H3 | 119.6° | 120.0° |
| C3 | C4 | C5 | 121.0° | 119.9° |
| C3 | C4 | H2 | 119.5° | 120.0° |
| C4 | C3 | H3 | 119.5° | 120.0° |
| C22 | N2 | C17 | 120.0° | 120.0° |
| C22 | N2 | C23 | 122.4° | 120.0° |
| N2 | C22 | H12 | 109.5° | 109.5° |
| N2 | C22 | H13 | 109.5° | 109.4° |
| N2 | C22 | H14 | 109.5° | 109.5° |
| N2 | C17 | C16 | 119.5° | 120.1° |
| C17 | N2 | C23 | 117.4° | 120.0° |
| C17 | C16 | C15 | 122.7° | 120.0° |
| C17 | C16 | H15 | 118.6° | 120.0° |
| N2 | C23 | H9 | 109.5° | 109.5° |
| N2 | C23 | H10 | 109.5° | 109.5° |
| N2 | C23 | H11 | 109.5° | 109.4° |
| C2 | C7 | C6 | 120.6° | 120.1° |
| C2 | C7 | H4 | 119.7° | 119.9° |
| C15 | C16 | H15 | 118.7° | 120.0° |
| C16 | C15 | H16 | 119.8° | 119.9° |
| C4 | C5 | C6 | 118.2° | 119.9° |
| C4 | C5 | O1 | 121.7° | 120.0° |
| C5 | C4 | H2 | 119.5° | 120.1° |
| C7 | C6 | C5 | 121.1° | 119.9° |
| C6 | C7 | H4 | 119.7° | 119.9° |
| C7 | C6 | H5 | 119.4° | 120.1° |
| C6 | C5 | O1 | 120.1° | 120.1° |
| C5 | C6 | H5 | 119.5° | 120.0° |
| C5 | O1 | H1 | 109.5° | 114.0° |
| H9 | C23 | H10 | 109.4° | 109.5° |
| H9 | C23 | H11 | 109.5° | 109.5° |
| H10 | C23 | H11 | 109.5° | 109.5° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H12 | C22 | H14 | 109.4° | 109.5° |
| H13 | C22 | H14 | 109.5° | 109.5° |
| H19 | C21 | H20 | 109.5° | 109.5° |
| H19 | C21 | H21 | 109.5° | 109.4° |
| H20 | C21 | H21 | 109.5° | 109.4° |
| H22 | C20 | H23 | 109.4° | 109.4° |
| H22 | C20 | H24 | 109.4° | 109.5° |
| H23 | C20 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | N1 | C20 | C11 | 176.0° | 180.0° |
| C21 | N1 | C11 | C12 | 19.7° | 173.8° |
| C21 | N1 | C11 | C10 | 165.3° | 6.2° |
| N1 | C21 | H19 | H20 | 120.0° | 120.1° |
| N1 | C21 | H19 | H21 | 120.0° | 120.0° |
| N1 | C21 | H20 | H21 | 120.0° | 120.0° |
| C21 | N1 | C20 | H22 | 180.0° | 175.4° |
| C21 | N1 | C20 | H23 | 60.0° | 55.5° |
| C21 | N1 | C20 | H24 | 60.0° | 64.6° |
| C20 | N1 | C11 | C12 | 156.3° | 6.2° |
| C20 | N1 | C11 | C10 | 18.8° | 173.7° |
| C20 | N1 | C21 | H19 | 180.0° | 89.9° |
| C20 | N1 | C21 | H20 | 60.0° | 150.0° |
| C20 | N1 | C21 | H21 | 60.0° | 30.0° |
| N1 | C20 | H22 | H23 | 120.0° | 120.0° |
| N1 | C20 | H22 | H24 | 120.0° | 120.0° |
| N1 | C20 | H23 | H24 | 120.0° | 120.0° |
| N1 | C11 | C12 | C10 | 175.2° | 179.9° |
| N1 | C11 | C12 | C13 | 175.7° | 180.0° |
| N1 | C11 | C10 | C9 | 175.4° | 180.0° |
| N1 | C11 | C12 | H18 | 4.2° | 0.1° |
| C11 | N1 | C21 | H19 | 3.9° | 90.0° |
| C11 | N1 | C21 | H20 | 116.1° | 30.0° |
| C11 | N1 | C21 | H21 | 123.9° | 150.0° |
| C11 | N1 | C20 | H22 | 4.0° | 4.5° |
| C11 | N1 | C20 | H23 | 124.0° | 124.5° |
| C11 | N1 | C20 | H24 | 116.0° | 115.4° |
| N1 | C11 | C10 | H25 | 4.6° | 0.1° |
| C11 | C12 | C13 | H18 | 180.0° | 179.9° |
| C11 | C12 | C13 | C8 | 0.6° | 0.0° |
| C12 | C11 | C10 | C9 | 0.3° | 0.1° |
| C11 | C12 | C13 | H17 | 179.4° | 180.0° |
| C12 | C11 | C10 | H25 | 179.7° | 180.0° |
| C13 | C12 | C11 | C10 | 0.6° | 0.0° |
| C12 | C13 | C8 | H17 | 180.0° | 180.0° |
| C12 | C13 | C8 | C9 | 0.3° | 0.0° |
| C12 | C13 | C8 | C1 | 178.2° | 179.7° |
| C11 | C10 | C9 | H25 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 0.1° | 0.0° |
| C10 | C11 | C12 | H18 | 179.4° | 180.0° |
| C11 | C10 | C9 | H26 | 179.9° | 179.7° |
| C13 | C8 | C9 | C10 | 0.1° | 0.0° |
| C13 | C8 | C9 | C1 | 178.6° | 179.7° |
| C13 | C8 | C1 | C14 | 36.6° | 69.6° |
| C13 | C8 | C1 | C2 | 143.3° | 50.3° |
| C8 | C13 | C12 | H18 | 179.4° | 180.0° |
| C13 | C8 | C9 | H26 | 179.9° | 179.7° |
| C13 | C8 | C1 | H27 | 126.6° | 170.4° |
| C10 | C9 | C8 | H26 | 180.0° | 179.7° |
| C10 | C9 | C8 | C1 | 178.5° | 179.7° |
| C9 | C8 | C1 | C14 | 142.0° | 110.7° |
| C9 | C8 | C1 | C2 | 38.2° | 129.4° |
| C9 | C8 | C13 | H17 | 179.7° | 180.0° |
| C8 | C9 | C10 | H25 | 179.9° | 180.0° |
| C9 | C8 | C1 | H27 | 51.9° | 9.3° |
| C8 | C1 | C14 | C19 | 29.3° | 10.4° |
| C8 | C1 | C14 | C2 | 179.9° | 120.0° |
| C8 | C1 | C14 | H27 | 90.0° | 120.0° |
| C8 | C1 | C2 | H27 | 90.1° | 120.1° |
| C8 | C1 | C14 | C15 | 144.6° | 169.8° |
| C8 | C1 | C2 | C3 | 38.4° | 105.6° |
| C8 | C1 | C2 | C7 | 138.8° | 74.3° |
| C1 | C8 | C13 | H17 | 1.7° | 0.3° |
| C1 | C8 | C9 | H26 | 1.5° | 0.0° |
| C18 | C19 | C14 | H7 | 180.0° | 180.0° |
| C18 | C19 | C14 | C1 | 173.8° | 180.0° |
| C19 | C18 | C17 | H8 | 180.0° | 180.0° |
| C18 | C19 | C14 | C15 | 0.3° | 0.2° |
| C19 | C18 | C17 | N2 | 172.0° | 180.0° |
| C19 | C18 | C17 | C16 | 1.8° | 0.0° |
| C19 | C14 | C1 | C15 | 173.9° | 179.8° |
| C19 | C14 | C1 | C2 | 150.8° | 130.4° |
| C14 | C19 | C18 | C17 | 1.3° | 0.0° |
| C19 | C14 | C15 | C16 | 0.0° | 0.4° |
| C14 | C19 | C18 | H8 | 178.7° | 180.0° |
| C19 | C14 | C15 | H16 | 180.0° | 179.7° |
| C19 | C14 | C1 | H27 | 60.7° | 109.6° |
| C14 | C1 | C2 | H27 | 90.0° | 120.0° |
| C14 | C1 | C2 | C3 | 141.5° | 134.4° |
| C14 | C1 | C2 | C7 | 41.3° | 45.6° |
| C1 | C14 | C15 | C16 | 174.3° | 179.8° |
| C1 | C14 | C19 | H7 | 6.2° | 0.0° |
| C1 | C14 | C15 | H16 | 5.7° | 0.1° |
| C2 | C1 | C14 | C15 | 35.3° | 49.8° |
| C1 | C2 | C3 | C7 | 177.3° | 179.9° |
| C1 | C2 | C3 | C4 | 178.6° | 179.9° |
| C1 | C2 | C7 | C6 | 178.9° | 180.0° |
| C1 | C2 | C3 | H3 | 1.4° | 0.0° |
| C1 | C2 | C7 | H4 | 1.1° | 0.1° |
| C18 | C17 | N2 | C22 | 16.4° | 174.3° |
| C18 | C17 | N2 | C16 | 169.9° | 180.0° |
| C18 | C17 | N2 | C23 | 158.8° | 5.6° |
| C18 | C17 | C16 | C15 | 1.5° | 0.3° |
| C17 | C18 | C19 | H7 | 178.8° | 180.0° |
| C18 | C17 | C16 | H15 | 178.5° | 179.9° |
| C14 | C15 | C16 | C17 | 0.7° | 0.5° |
| C14 | C15 | C16 | H16 | 180.0° | 179.8° |
| C15 | C14 | C19 | H7 | 179.7° | 179.8° |
| C14 | C15 | C16 | H15 | 179.4° | 179.7° |
| C15 | C14 | C1 | H27 | 125.3° | 70.2° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C3 | C2 | C7 | C6 | 1.6° | 0.1° |
| C2 | C3 | C4 | H2 | 179.5° | 180.0° |
| C3 | C2 | C7 | H4 | 178.4° | 180.0° |
| C3 | C2 | C1 | H27 | 128.5° | 14.5° |
| C4 | C3 | C2 | C7 | 1.3° | 0.0° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | O1 | 178.1° | 179.7° |
| C22 | N2 | C17 | C23 | 175.2° | 179.9° |
| C22 | N2 | C17 | C16 | 173.8° | 5.7° |
| C22 | N2 | C23 | H9 | 180.0° | 90.0° |
| C22 | N2 | C23 | H10 | 60.0° | 30.0° |
| C22 | N2 | C23 | H11 | 60.0° | 150.1° |
| N2 | C22 | H12 | H13 | 120.0° | 120.0° |
| N2 | C22 | H12 | H14 | 120.0° | 120.0° |
| N2 | C22 | H13 | H14 | 120.0° | 120.0° |
| N2 | C17 | C16 | C15 | 172.0° | 179.8° |
| N2 | C17 | C18 | H8 | 8.0° | 0.0° |
| C17 | N2 | C23 | H9 | 5.0° | 90.0° |
| C17 | N2 | C23 | H10 | 125.0° | 150.0° |
| C17 | N2 | C23 | H11 | 115.0° | 30.0° |
| C17 | N2 | C22 | H12 | 180.0° | 5.2° |
| C17 | N2 | C22 | H13 | 60.0° | 125.2° |
| C17 | N2 | C22 | H14 | 60.0° | 114.8° |
| N2 | C17 | C16 | H15 | 8.0° | 0.1° |
| C16 | C17 | N2 | C23 | 11.1° | 174.4° |
| C17 | C16 | C15 | H15 | 180.0° | 179.8° |
| C16 | C17 | C18 | H8 | 178.2° | 180.0° |
| C17 | C16 | C15 | H16 | 179.3° | 179.7° |
| N2 | C23 | H9 | H10 | 120.0° | 120.0° |
| N2 | C23 | H9 | H11 | 120.0° | 119.9° |
| N2 | C23 | H10 | H11 | 120.0° | 120.0° |
| C23 | N2 | C22 | H12 | 5.1° | 174.9° |
| C23 | N2 | C22 | H13 | 125.1° | 54.9° |
| C23 | N2 | C22 | H14 | 114.9° | 65.1° |
| C2 | C7 | C6 | H4 | 180.0° | 179.9° |
| C2 | C7 | C6 | C5 | 1.2° | 0.1° |
| C7 | C2 | C3 | H3 | 178.7° | 179.9° |
| C2 | C7 | C6 | H5 | 178.8° | 179.7° |
| C7 | C2 | C1 | H27 | 48.8° | 165.6° |
| C4 | C5 | C6 | C7 | 0.4° | 0.1° |
| C4 | C5 | C6 | O1 | 178.1° | 179.7° |
| C4 | C5 | O1 | H1 | 180.0° | 89.7° |
| C5 | C4 | C3 | H3 | 179.5° | 180.0° |
| C4 | C5 | C6 | H5 | 179.6° | 179.7° |
| C7 | C6 | C5 | H5 | 180.0° | 179.8° |
| C7 | C6 | C5 | O1 | 178.5° | 179.8° |
| C6 | C5 | O1 | H1 | 2.0° | 90.0° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | H4 | 178.8° | 180.0° |
| O1 | C5 | C4 | H2 | 1.9° | 0.3° |
| O1 | C5 | C6 | H5 | 1.6° | 0.0° |
| H2 | C4 | C3 | H3 | 0.5° | 0.0° |
| H4 | C7 | C6 | H5 | 1.2° | 0.2° |
| H7 | C19 | C18 | H8 | 1.3° | 0.0° |
| H9 | C23 | H10 | H11 | 120.0° | 120.0° |
| H12 | C22 | H13 | H14 | 120.0° | 120.0° |
| H15 | C16 | C15 | H16 | 0.6° | 0.1° |
| H17 | C13 | C12 | H18 | 0.6° | 0.0° |
| H19 | C21 | H20 | H21 | 120.0° | 120.0° |
| H22 | C20 | H23 | H24 | 119.9° | 120.0° |
| H25 | C10 | C9 | H26 | 0.1° | 0.3° |
